data_6rpv_residue ############################ # Computer software used # ############################ 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 6rpv _Structure_validation_residue.Date_analyzed 2019-07-26 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 ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.39 0 N-CA-C 110.745 -0.942 . . . . 25.0 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -77.11 139.69 19.28 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.44 -2.573 . . . . 25.0 111.884 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 ptm -148.98 147.52 28.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 143.25 31.42 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 151.4 40.5 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 m -74.04 160.0 31.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.531 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.85 -16.1 20.5 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.02 -28.7 62.5 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.431 0.692 . . . . 25.0 110.902 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.316 4.8 mp0 -54.43 123.83 14.19 Favored 'General case' 0 CA--C 1.438 -3.327 1 N-CA-C 121.849 4.018 . . . . 25.0 121.849 169.429 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.8 pm0 -64.63 -27.84 69.21 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 112.315 -2.22 . . . . 25.0 110.96 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.07 -27.98 73.63 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 110.573 -1.011 . . . . 25.0 110.573 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.45 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -54.2 -37.78 64.91 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.777 0.831 . . . . 25.0 112.654 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -29.19 69.38 Favored 'General case' 0 C--O 1.207 -1.177 0 C-N-CA 119.744 -0.783 . . . . 25.0 112.751 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -32.59 22.07 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.26 -55.66 23.01 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.68 -36.89 83.6 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.72 -45.87 90.72 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.53 77.15 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.633 0.975 . . . . 25.0 113.633 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.276 1.1 t -72.54 -40.1 62.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.171 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.74 -37.25 94.52 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.3 -28.24 25.41 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.59 1.186 . . . . 25.0 112.016 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -86.86 -63.04 1.37 Allowed 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -84.11 -53.58 5.43 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 112.461 -2.154 . . . . 25.0 111.697 -171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.63 -30.28 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.369 -178.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.71 -32.11 65.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -77.38 159.52 29.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.3 139.53 58.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -76.88 101.29 5.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.8 mmm -96.6 -45.91 6.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -142.06 136.8 30.54 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 100.599 -3.852 . . . . 25.0 100.599 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.54 126.46 27.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -142.22 143.58 32.97 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -146.47 159.72 43.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.832 -1.174 . . . . 25.0 107.832 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.34 103.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 101.739 -3.43 . . . . 25.0 101.739 168.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.95 -49.85 41.03 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 122.061 0.934 . . . . 25.0 109.02 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -148.66 127.34 12.49 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 113.514 -1.675 . . . . 25.0 109.384 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 ' HA ' HG21 ' A' ' 66' ' ' VAL . 2.2 t -82.66 130.06 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.75 -40.3 11.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.178 -0.919 . . . . 50.0 109.161 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -141.67 142.85 33.36 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.56 104.87 4.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -141.75 168.56 19.46 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-O 121.579 0.704 . . . . 25.0 110.88 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 152.95 35.53 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.831 -1.077 . . . . 25.0 111.071 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 33.5 tt0 -98.95 130.3 45.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.94 127.74 67.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.8 -158.63 31.56 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 109.348 -1.501 . . . . 25.0 109.348 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -22.65 67.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.215 0.508 . . . . 25.0 110.945 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.48 137.79 10.52 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 104.45 -3.46 . . . . 25.0 104.45 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.83 113.86 43.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 CA-C-N 118.134 0.967 . . . . 50.0 108.486 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.2 118.1 34.38 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -91.72 133.29 35.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.432 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 91.6 m-85 -123.18 115.01 21.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.54 129.96 52.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -119.79 138.77 53.15 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 123.683 1.706 . . . . 25.0 107.878 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 140.93 22.69 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.474 0 CA-C-N 109.851 -3.341 . . . . 50.0 119.525 -167.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.41 123.08 36.46 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.44 159.63 14.88 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.15 161.47 35.3 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.308 -1.117 . . . . 25.0 110.308 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.43 126.24 30.58 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 100.912 -3.736 . . . . 25.0 100.912 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 p -88.62 142.97 27.25 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 119.636 -0.826 . . . . 25.0 111.123 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 p -72.14 -17.12 61.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.429 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.1 m -125.27 172.35 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.496 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.7 p -111.93 175.0 5.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.02 0.914 . . . . 25.0 111.067 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.641 1.719 . . . . 25.0 115.641 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.274 0.8 OUTLIER -106.77 -14.18 15.06 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 117.037 2.236 . . . . 25.0 117.037 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.496 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.0 mm100 -69.3 153.48 95.86 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 111.884 -2.417 . . . . 25.0 111.758 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.48 177.98 8.13 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 121.779 1.652 . . . . 25.0 113.032 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 60.96 40.29 15.57 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.18 -10.4 1.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 117.104 2.261 . . . . 50.0 117.104 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.33 -41.82 17.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.408 1.099 . . . . 25.0 110.139 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -83.42 -37.42 23.25 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 114.206 1.188 . . . . 25.0 114.206 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.62 -53.88 61.03 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.995 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.35 -24.4 37.2 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 115.642 -2.438 . . . . 25.0 114.021 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.25 -39.57 83.25 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -81.69 -19.63 41.19 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.63 -37.39 70.89 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.797 -0.564 . . . . 25.0 111.1 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.33 -56.59 20.93 Favored Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -69.22 -14.86 38.53 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 115.117 -2.789 . . . . 25.0 114.02 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.16 -16.55 54.64 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.024 -0.422 . . . . 25.0 111.199 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.63 90.69 0.4 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.036 0.446 . . . . 50.0 111.32 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.52 -32.3 71.05 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -115.59 123.83 49.43 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 100.885 -3.746 . . . . 25.0 100.885 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -86.79 109.8 19.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 128.57 34.69 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.78 -1.193 . . . . 25.0 107.78 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -122.84 141.31 52.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.142 0.972 . . . . 25.0 109.466 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.34 157.09 42.87 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.08 -1.418 . . . . 25.0 110.309 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -129.67 125.74 36.7 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 107.688 -1.226 . . . . 25.0 107.688 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -119.26 132.8 55.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -126.64 121.58 32.55 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.46 120.65 63.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -91.55 120.92 32.78 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.77 134.78 42.17 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 104.213 -2.514 . . . . 25.0 104.213 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.63 103.08 25.61 Favored Pre-proline 0 N--CA 1.432 -1.359 1 N-CA-C 95.926 -5.583 . . . . 50.0 95.926 -172.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.0 -21.6 15.68 Favored 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 106.841 -8.306 . . . . 25.0 114.65 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -61.13 -20.74 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.058 -0.974 . . . . 25.0 113.506 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.71 -3.4 10.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.116 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.17 14.78 74.13 Favored Glycine 0 N--CA 1.46 0.273 0 CA-C-O 121.664 0.591 . . . . 25.0 112.01 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -103.91 167.32 9.85 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 123.66 0.784 . . . . 25.0 109.091 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.6 ptt? -148.29 157.66 43.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.5 m -142.61 140.01 31.52 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.145 0.578 . . . . 25.0 110.027 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.5 113.48 4.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.64 0.733 . . . . 50.0 109.412 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -83.45 -34.18 25.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 25.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.42 141.52 22.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 25.0 111.795 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 116.89 12.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -133.3 147.15 51.87 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.61 170.24 19.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -173.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -124.77 159.73 30.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.509 -1.223 . . . . 25.0 109.061 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.32 151.39 23.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.71 0.404 . . . . 25.0 111.497 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 117.113 -1.423 . . . . 25.0 111.092 -178.297 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.74 148.4 58.64 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.928 -2.915 . . . . 25.0 111.081 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.6 ptp -148.75 149.08 30.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.787 0.291 . . . . 25.0 111.787 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.43 128.62 38.34 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.087 -3.672 . . . . 25.0 101.087 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.43 160.16 20.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.69 156.21 32.73 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 m -69.03 -19.7 24.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -74.22 -24.04 59.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.398 -1.273 . . . . 25.0 111.425 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.28 0.8 OUTLIER -53.99 136.11 41.79 Favored 'General case' 0 CA--C 1.44 -3.271 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.26 -32.6 74.05 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 113.367 -1.742 . . . . 25.0 112.044 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.99 74.59 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.176 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.02 -50.92 13.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 117.601 0.7 . . . . 50.0 111.754 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -50.12 -47.02 54.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.995 0.518 . . . . 25.0 112.223 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -28.49 69.54 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.6 24.05 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.21 -54.85 23.21 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.21 -35.85 80.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 123.615 0.572 . . . . 25.0 109.498 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -61.4 -46.41 90.28 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.68 82.79 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.265 1.1 t -74.71 -38.86 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.28 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 -173.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.51 -36.78 93.66 Favored Glycine 0 C--O 1.207 -1.584 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.47 -27.99 25.32 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.416 1.103 . . . . 25.0 111.541 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -86.81 -63.56 1.29 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -83.5 -52.56 6.38 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 112.404 -2.18 . . . . 25.0 112.266 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -71.04 -30.18 66.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.248 -178.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.08 66.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -77.74 158.04 29.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.446 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -93.7 55.45 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.383 0.611 . . . . 25.0 111.214 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -66.2 130.84 44.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.636 0.731 . . . . 25.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.45 -25.48 63.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.029 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.41 162.43 13.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -88.53 112.4 22.96 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -121.1 143.54 49.03 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -151.35 168.98 23.12 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 103.43 2.49 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 102.289 -3.226 . . . . 25.0 102.289 171.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 88' ' ' GLN . 11.6 mt -65.63 -45.08 84.44 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-O 121.397 0.618 . . . . 25.0 110.754 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -161.68 136.67 7.3 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.14 -1.391 . . . . 25.0 108.212 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 HG22 ' A' ' 66' ' ' VAL . 2.2 t -84.95 136.87 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.522 0.677 . . . . 50.0 110.185 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.53 -44.09 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.02 140.18 34.26 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.11 118.3 12.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.55 166.25 32.61 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.77 28.12 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.711 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -104.1 135.82 44.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.69 134.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.04 -145.86 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 105.423 -3.071 . . . . 25.0 105.423 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.53 -24.8 66.87 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.178 0.989 . . . . 25.0 110.056 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.79 162.2 21.69 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 105.296 -3.122 . . . . 25.0 105.296 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -119.18 130.81 73.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -132.96 117.03 17.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.884 0.373 . . . . 25.0 110.539 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.88 136.78 32.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 90.3 m-85 -123.4 113.34 18.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -121.07 119.77 33.42 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -114.24 135.22 54.3 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 123.193 1.473 . . . . 25.0 107.194 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG22 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -142.59 144.16 24.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 121.267 3.803 . . . . 50.0 121.267 -163.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -93.71 131.33 39.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.766 -1.561 . . . . 25.0 108.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.38 159.4 15.02 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.73 160.45 25.33 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 106.146 -2.782 . . . . 25.0 106.146 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -102.89 148.73 25.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.5 p -88.85 143.53 26.83 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -70.35 -19.52 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 25.0 111.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.9 m -121.58 171.73 8.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.548 . . . . 25.0 110.614 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 p -104.97 174.06 6.04 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 122.011 0.91 . . . . 25.0 111.433 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -61.85 -21.95 65.1 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.257 0.7 OUTLIER -105.78 -14.77 15.14 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 118.414 2.746 . . . . 25.0 118.414 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -55.51 153.39 14.88 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 112.591 -2.095 . . . . 25.0 113.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.98 -18.46 65.27 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 N-CA-C 119.323 2.778 . . . . 25.0 119.323 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -131.54 64.47 1.59 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.78 -10.48 20.14 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.861 1.43 . . . . 50.0 114.861 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -42.27 13.4 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.521 1.153 . . . . 25.0 110.335 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -86.43 -34.32 20.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 -171.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.05 -55.41 37.58 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 119.519 -0.873 . . . . 25.0 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.25 -24.77 43.51 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 114.908 -2.928 . . . . 25.0 114.373 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.2 -43.14 92.23 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.05 -26.42 33.75 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.36 -52.34 66.04 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.906 -0.496 . . . . 25.0 111.308 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 47' ' ' LEU . 2.1 mm-40 -53.48 -56.49 24.14 Favored Pre-proline 0 CA--C 1.508 -0.646 0 C-N-CA 119.159 -1.016 . . . . 25.0 113.722 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.18 -26.59 36.06 Favored 'Trans proline' 0 N--CA 1.452 -0.933 1 C-N-CA 111.623 -5.118 . . . . 25.0 115.967 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -73.87 -25.64 60.14 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.959 -0.463 . . . . 25.0 112.187 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.66 83.41 1.58 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.235 -1.024 . . . . 50.0 108.235 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -34.84 77.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.77 133.32 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -124.53 144.55 50.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.73 152.63 45.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.116 -2.179 . . . . 25.0 105.116 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -124.24 139.78 53.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.405 1.097 . . . . 25.0 113.733 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.73 160.12 23.17 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.249 -1.341 . . . . 25.0 111.04 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -129.88 117.42 20.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.839 -1.541 . . . . 25.0 106.839 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -113.35 134.04 54.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -129.17 117.55 20.97 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.11 119.07 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -91.54 125.82 36.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.798 -1.926 . . . . 25.0 105.798 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.57 133.85 46.88 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.58 103.01 24.91 Favored Pre-proline 0 N--CA 1.433 -1.278 1 N-CA-C 96.473 -5.38 . . . . 50.0 96.473 -171.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.13 -23.56 13.46 Favored 'Trans proline' 0 N--CA 1.452 -0.915 1 C-N-CA 106.537 -8.508 . . . . 25.0 114.959 -167.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.31 -30.25 68.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.127 -0.942 . . . . 25.0 113.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -106.73 -4.85 18.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.57 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.1 17.89 77.52 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-O 121.931 0.74 . . . . 25.0 111.609 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -108.99 167.43 10.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.9 ptp -148.28 157.54 43.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 169.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -145.17 141.98 29.2 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.871 0.468 . . . . 25.0 110.385 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.06 110.72 3.06 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.883 0.849 . . . . 50.0 109.395 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 42.8 t -84.81 -26.58 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.098 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -150.06 135.62 18.28 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.69 108.22 6.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -127.46 147.03 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.599 -2.0 . . . . 25.0 105.599 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 m -148.35 173.4 13.09 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.34 152.29 51.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.03 -2.582 . . . . 25.0 104.03 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.7 151.55 23.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.13 0.49 . . . . 25.0 111.87 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 116.59 -1.672 . . . . 25.0 107.368 -179.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 CA-C-O 118.939 -0.923 . . . . 25.0 114.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 90.1 Cg_endo -79.2 140.07 15.33 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 115.534 -2.511 . . . . 25.0 115.372 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.75 146.91 31.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.721 -1.127 . . . . 25.0 108.859 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -85.1 145.74 27.5 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.02 156.76 35.89 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.08 158.21 33.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 m -69.58 -16.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -70.85 -29.24 65.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.805 -1.089 . . . . 25.0 111.19 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.281 0.8 OUTLIER -56.06 141.86 38.56 Favored 'General case' 0 CA--C 1.457 -2.598 1 N-CA-C 122.08 4.104 . . . . 25.0 122.08 179.462 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.25 -41.87 80.44 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 112.503 -2.135 . . . . 25.0 111.946 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.08 -25.69 74.34 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.182 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.4 t -86.35 -48.88 15.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 CA-C-N 117.813 0.807 . . . . 50.0 110.658 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -53.0 -40.91 64.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.133 0.879 . . . . 25.0 112.728 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -27.53 65.26 Favored 'General case' 0 C--O 1.206 -1.218 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -28.5 25.37 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.25 -62.66 1.61 Allowed 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -70.36 -32.89 70.77 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 123.517 0.511 . . . . 25.0 111.226 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.58 -49.21 78.44 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.35 82.98 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 114.595 1.332 . . . . 25.0 114.595 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.275 1.1 t -74.72 -36.39 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.19 0 N-CA-C 106.934 -1.506 . . . . 50.0 106.934 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.55 92.2 Favored Glycine 0 C--O 1.207 -1.553 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -85.82 -28.19 24.63 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 122.177 0.989 . . . . 25.0 111.766 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.88 -62.97 1.39 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 116.448 2.018 . . . . 25.0 116.448 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -84.23 -52.14 6.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.254 -2.248 . . . . 25.0 112.143 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.84 -31.56 68.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.96 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.81 67.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -75.24 152.54 38.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.522 -0.763 . . . . 25.0 109.719 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -85.67 55.54 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 25.0 110.201 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.59 127.61 33.66 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.003 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mmt -67.25 -21.67 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -136.33 161.89 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -65.72 133.88 51.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.757 0.313 . . . . 25.0 111.15 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -143.13 149.11 37.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -154.94 167.31 30.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 104.76 2.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 102.419 -3.178 . . . . 25.0 102.419 167.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.83 -47.96 64.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.616 0.722 . . . . 25.0 111.425 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -154.94 138.04 15.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.45 -1.25 . . . . 25.0 107.64 -171.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.489 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.67 129.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.429 0.633 . . . . 50.0 109.4 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.3 t -86.0 -43.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -145.19 140.82 28.19 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.41 114.2 12.66 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 104.916 -2.254 . . . . 25.0 104.916 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.64 168.33 25.97 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 121.45 0.643 . . . . 25.0 109.926 -176.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.79 164.45 35.27 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.026 -0.988 . . . . 25.0 109.479 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 30.2 tt0 -134.58 120.74 19.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.79 137.82 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.79 -159.53 23.81 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 107.711 -2.156 . . . . 25.0 107.711 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.87 69.0 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.871 0.836 . . . . 25.0 109.155 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.47 148.7 16.98 Favored Glycine 0 N--CA 1.448 -0.543 1 N-CA-C 101.896 -4.482 . . . . 25.0 101.896 172.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.2 t -119.94 131.64 71.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -125.01 124.76 42.66 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.014 -0.428 . . . . 25.0 110.627 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.07 134.24 45.62 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 39.7 m-85 -123.41 114.79 20.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.548 -1.649 . . . . 25.0 106.548 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 117.01 24.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.78 136.21 53.1 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 122.922 1.344 . . . . 25.0 108.812 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -147.74 143.24 19.66 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.183 1 N-CA-C 121.931 4.048 . . . . 50.0 121.931 -163.06 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.46 134.38 34.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.182 -1.372 . . . . 25.0 108.973 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.85 138.09 47.68 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.57 153.51 24.82 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 107.155 -2.378 . . . . 25.0 107.155 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -79.58 132.93 36.41 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 102.199 -3.259 . . . . 25.0 102.199 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -88.83 142.9 27.27 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.428 -0.909 . . . . 25.0 110.263 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -74.03 -15.85 61.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.398 0.618 . . . . 25.0 109.708 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.91 163.89 12.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.261 1.029 . . . . 25.0 111.179 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.9 p -109.11 173.34 6.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.86 -22.44 64.26 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.34 -15.02 15.56 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 119.464 3.135 . . . . 25.0 119.464 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -55.35 147.13 38.82 Favored Pre-proline 0 C--N 1.296 -1.754 0 CA-C-N 112.413 -2.176 . . . . 25.0 114.374 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.08 -16.49 14.07 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.239 1.292 . . . . 25.0 115.268 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.74 33.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.34 -11.19 13.99 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.66 2.096 . . . . 50.0 116.66 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.99 -42.12 14.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.737 1.256 . . . . 25.0 109.319 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.18 -36.17 27.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -173.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.66 -57.44 26.46 Favored Pre-proline 0 C--O 1.215 -0.728 0 C-N-CA 120.337 -0.545 . . . . 25.0 111.307 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.11 -25.68 43.51 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 114.351 -3.299 . . . . 25.0 114.008 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -61.86 -35.02 77.07 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.83 -37.16 35.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.229 0.538 . . . . 25.0 111.989 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.77 -38.74 80.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -58.1 -55.26 47.16 Favored Pre-proline 0 N--CA 1.472 0.672 0 N-CA-C 113.075 0.769 . . . . 25.0 113.075 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.65 -13.06 36.32 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 113.425 -3.917 . . . . 25.0 113.737 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -79.05 -6.91 57.53 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.802 -0.561 . . . . 25.0 110.65 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.88 68.69 0.9 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 122.179 0.99 . . . . 50.0 111.316 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -85.72 14.71 5.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.693 0.759 . . . . 25.0 110.032 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -138.1 150.15 46.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 101.5 -3.519 . . . . 25.0 101.5 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 134.07 35.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 118.839 -0.601 . . . . 25.0 109.471 -167.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.55 113.33 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.657 -1.217 . . . . 25.0 112.618 160.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -124.57 139.6 53.72 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 106.979 -1.489 . . . . 25.0 106.979 165.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -120.09 158.36 27.03 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 123.725 0.81 . . . . 25.0 110.286 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -129.83 112.56 13.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.43 -0.805 . . . . 25.0 108.939 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -104.93 126.91 52.5 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -127.04 110.99 13.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.8 mt -102.37 129.86 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -98.76 125.01 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.53 134.93 46.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.66 103.37 27.66 Favored Pre-proline 0 N--CA 1.433 -1.28 1 N-CA-C 95.813 -5.625 . . . . 50.0 95.813 -171.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.08 -25.57 11.61 Favored 'Trans proline' 0 N--CA 1.454 -0.795 1 C-N-CA 106.319 -8.654 . . . . 25.0 114.112 -170.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -60.93 -30.2 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.745 -1.116 . . . . 25.0 112.351 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -103.54 -1.67 27.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.675 -0.693 . . . . 25.0 112.322 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.1 30.01 76.82 Favored Glycine 0 N--CA 1.467 0.736 0 CA-C-O 122.527 1.071 . . . . 25.0 112.219 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.05 167.41 19.76 Favored 'General case' 0 CA--C 1.498 -1.056 0 C-N-CA 124.205 1.002 . . . . 25.0 108.743 -174.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.1 ptp -148.2 157.55 43.56 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 171.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -144.62 141.62 29.53 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 123.192 0.597 . . . . 25.0 109.409 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.42 115.61 5.86 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -83.93 -34.19 24.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.903 -0.589 . . . . 25.0 109.79 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -151.28 138.33 19.15 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.43 47.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 102.917 -2.994 . . . . 25.0 102.917 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.8 t -145.92 156.56 43.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 105.947 -1.871 . . . . 25.0 105.947 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 10.3 m -146.68 177.81 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.446 0.466 . . . . 25.0 112.135 -174.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -106.62 150.02 26.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.9 138.37 35.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.099 -1.075 . . . . 25.0 108.099 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.219 -0.896 . . . . 25.0 112.827 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 109.276 -1.53 . . . . 25.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -65.17 151.51 85.25 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 119.208 1.504 . . . . 25.0 114.182 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -149.01 147.83 29.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.13 150.27 23.44 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 173.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.4 155.83 36.62 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -74.43 155.2 38.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -69.64 -17.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.771 -1.196 . . . . 50.0 107.771 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -74.24 -24.4 59.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.719 -1.128 . . . . 25.0 111.174 175.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 1.0 OUTLIER -57.86 131.68 51.09 Favored 'General case' 0 CA--C 1.435 -3.462 0 N-CA-C 120.629 3.566 . . . . 25.0 120.629 172.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.98 -33.34 75.19 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 113.681 -1.6 . . . . 25.0 112.209 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.95 -27.62 69.0 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.989 -0.845 . . . . 25.0 110.989 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.23 -51.96 12.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-O 119.1 -0.476 . . . . 50.0 111.208 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -49.35 -47.24 47.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.404 0.681 . . . . 25.0 112.764 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -29.54 70.82 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.51 24.29 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.32 -60.06 4.11 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.534 -0.913 . . . . 50.0 108.534 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.56 -31.46 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.379 0.424 . . . . 25.0 110.517 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.36 -49.7 75.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.61 74.51 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.711 1.374 . . . . 25.0 114.711 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.274 1.2 t -76.09 -35.71 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -175.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.86 -34.1 89.03 Favored Glycine 0 C--O 1.211 -1.329 0 N-CA-C 106.982 -2.447 . . . . 25.0 106.982 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -85.31 -31.08 23.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.85 0.833 . . . . 25.0 112.274 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -87.67 -62.95 1.38 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -84.32 -51.86 6.66 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 111.743 -2.48 . . . . 25.0 111.879 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.829 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.09 70.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -77.52 157.92 30.15 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.393 -0.822 . . . . 25.0 109.563 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -93.64 57.34 2.53 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.543 0.687 . . . . 25.0 111.14 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.25 132.1 48.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.501 0.667 . . . . 25.0 110.15 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.9 mtm -67.59 -20.61 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.821 . . . . 25.0 112.184 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.72 161.84 19.43 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -78.17 112.5 15.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 m -124.18 139.68 53.69 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.24 171.08 20.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.856 -0.338 . . . . 25.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 102.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -45.15 72.96 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.423 0.63 . . . . 25.0 112.55 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -153.13 131.13 11.79 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.496 -1.229 . . . . 25.0 108.386 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.96 130.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -86.33 -43.91 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -144.97 143.53 30.57 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.747 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.98 12.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.906 -2.257 . . . . 25.0 104.906 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.54 163.67 39.13 Favored 'General case' 0 CA--C 1.479 -1.782 0 CA-C-O 121.553 0.692 . . . . 25.0 110.306 -174.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 137.3 47.91 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 114.512 -1.222 . . . . 25.0 110.871 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -98.59 133.34 43.08 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.386 -2.45 . . . . 25.0 104.386 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.0 138.99 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.53 -134.8 2.17 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.07 -8.76 51.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.627 0.713 . . . . 25.0 110.729 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.16 31.63 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 104.293 -3.523 . . . . 25.0 104.293 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.09 137.76 56.73 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 118.763 1.281 . . . . 50.0 107.793 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -133.45 124.99 28.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.691 -0.631 . . . . 25.0 109.754 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.22 114.28 26.35 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 42.6 m-85 -99.76 115.92 30.65 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.62 123.95 48.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -118.84 134.15 55.36 Favored 'General case' 0 CA--C 1.484 -1.566 0 CA-C-O 123.322 1.534 . . . . 25.0 107.641 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.75 142.74 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.308 0 N-CA-C 121.428 3.862 . . . . 50.0 121.428 -163.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -94.05 133.2 37.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.459 -1.701 . . . . 25.0 108.756 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.16 150.84 20.69 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.878 0.847 . . . . 25.0 112.31 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.5 175.95 45.53 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 105.853 -2.899 . . . . 25.0 105.853 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -122.81 146.68 47.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.1 p -106.4 142.86 35.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 25.0 110.578 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 p -73.96 -23.72 59.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.937 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 63.8 m -123.46 174.43 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.759 0.79 . . . . 25.0 111.969 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.622 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.5 p -136.59 178.76 6.82 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 114.632 -1.167 . . . . 25.0 110.116 -174.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -58.0 -25.24 60.81 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 116.627 2.084 . . . . 25.0 116.627 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.296 0.7 OUTLIER -107.82 -14.59 14.75 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 116.137 1.903 . . . . 25.0 116.137 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.622 ' HB2' ' H ' ' A' ' 74' ' ' THR . 8.0 mm100 -75.65 153.41 85.39 Favored Pre-proline 0 C--N 1.296 -1.737 0 CA-C-N 111.453 -2.612 . . . . 25.0 108.366 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.15 170.61 19.99 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 121.42 1.413 . . . . 25.0 113.999 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 57.99 49.95 10.96 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.268 1.951 . . . . 25.0 116.268 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.99 -10.46 9.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.351 1.241 . . . . 50.0 114.351 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -42.19 13.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.762 1.268 . . . . 25.0 109.118 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -87.23 -35.03 18.75 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.9 m -62.93 -57.41 21.55 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.586 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -67.86 -25.31 39.21 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 114.382 -3.278 . . . . 25.0 114.351 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.25 -36.93 78.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.259 0.481 . . . . 25.0 109.971 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -83.71 -32.56 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -61.91 -46.17 90.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.77 -55.12 48.2 Favored Pre-proline 0 N--CA 1.475 0.807 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -70.73 -14.2 32.84 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 114.366 -3.289 . . . . 25.0 115.146 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -68.83 -26.09 64.99 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.584 -0.697 . . . . 25.0 110.839 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' HB2' ' HZ1' ' A' ' 94' ' ' LYS . 42.7 mt -64.74 92.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.071 1.508 . . . . 50.0 115.071 -177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.65 59.5 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 173.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.78 134.98 35.11 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HZ1' ' HB2' ' A' ' 91' ' ' LEU . 62.3 mmtt -126.74 134.5 50.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.85 143.88 29.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.826 -1.916 . . . . 25.0 105.826 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -124.19 138.82 54.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.45 158.16 20.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.273 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 m -129.88 127.06 39.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.46 131.19 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -122.68 107.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -100.44 118.73 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -90.34 121.62 32.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.87 135.62 41.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.572 -2.381 . . . . 25.0 104.572 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.41 103.32 20.07 Favored Pre-proline 0 N--CA 1.435 -1.208 1 N-CA-C 95.835 -5.617 . . . . 50.0 95.835 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.3 -20.26 16.45 Favored 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 106.823 -8.318 . . . . 25.0 114.336 -168.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -64.18 -17.73 63.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.416 -1.266 . . . . 25.0 114.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -122.31 -2.16 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.024 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.36 15.72 75.11 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-O 121.734 0.63 . . . . 25.0 111.932 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.0 p -103.34 166.98 10.1 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 123.745 0.818 . . . . 25.0 108.876 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.2 ptt? -148.1 157.6 43.6 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.4 m -143.76 140.04 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.492 0.717 . . . . 25.0 110.356 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.48 117.32 7.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 121.614 0.721 . . . . 50.0 109.686 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -89.26 -32.07 17.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.287 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -152.58 140.3 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.622 0.248 . . . . 25.0 111.541 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.57 124.95 26.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 104.391 -2.448 . . . . 25.0 104.391 170.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -140.71 149.51 42.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -147.71 175.9 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.199 -2.149 . . . . 25.0 105.199 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -76.46 145.52 39.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.233 -0.889 . . . . 25.0 109.707 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.342 0 N-CA-C 111.682 -0.567 . . . . 25.0 111.682 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 48.7 Cg_endo -82.21 159.82 17.74 Favored 'Trans proline' 0 C--N 1.342 0.22 0 N-CA-C 115.325 1.24 . . . . 25.0 115.325 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -148.88 148.68 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.19 142.8 27.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 103.726 -2.694 . . . . 25.0 103.726 172.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.12 158.1 30.03 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.75 155.65 39.74 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 m -65.04 -18.71 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 50.0 111.942 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.65 -23.77 45.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.109 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.18 143.11 34.56 Favored 'General case' 0 CA--C 1.453 -2.75 1 N-CA-C 122.036 4.087 . . . . 25.0 122.036 178.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.09 -40.69 77.43 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 112.218 -2.265 . . . . 25.0 111.774 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.76 -21.38 78.92 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.55 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.73 -49.21 14.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 117.919 0.86 . . . . 50.0 110.469 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -52.02 -43.16 63.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.532 0.568 . . . . 25.0 112.532 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.67 69.27 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -33.79 21.67 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -57.22 -62.5 1.72 Allowed 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.888 -0.782 . . . . 50.0 108.888 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -70.13 -32.11 69.96 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 123.919 0.762 . . . . 25.0 110.207 -171.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.41 -47.83 74.91 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.17 68.3 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.1 t -70.8 -41.41 77.39 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.5 -38.31 96.13 Favored Glycine 0 C--O 1.208 -1.509 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -175.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.3 -27.45 25.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 122.363 1.078 . . . . 25.0 111.807 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -87.28 -62.98 1.38 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 123.919 1.818 . . . . 25.0 115.108 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -84.47 -51.18 7.11 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 112.028 -2.351 . . . . 25.0 113.297 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.7 -32.12 69.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 -179.411 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.88 -32.11 70.28 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -75.49 151.68 37.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.54 -0.754 . . . . 25.0 109.528 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -87.67 52.13 2.4 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 25.0 111.785 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -70.62 129.53 39.43 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.437 0.637 . . . . 25.0 109.628 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.7 mtp -69.86 -14.48 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.01 156.86 39.22 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 105.008 -2.219 . . . . 25.0 105.008 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -79.6 112.34 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.294 -1.362 . . . . 25.0 109.959 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -88.37 140.43 29.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 103.222 -2.881 . . . . 25.0 103.222 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -147.2 146.91 30.0 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.245 -0.889 . . . . 25.0 112.08 -172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.64 102.24 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 102.911 -2.996 . . . . 25.0 102.911 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.98 -48.28 58.82 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 122.107 0.956 . . . . 25.0 111.07 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -147.61 127.64 13.67 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 113.7 -1.591 . . . . 25.0 108.537 -171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.83 126.87 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -85.11 -45.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -145.22 145.82 31.46 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.99 103.14 4.56 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -140.09 166.08 25.63 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.769 0.795 . . . . 25.0 111.869 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 145.9 26.53 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.927 -1.033 . . . . 25.0 112.563 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 60.7 tt0 -98.71 139.36 34.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.89 129.45 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.9 -151.37 13.03 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 107.912 -2.075 . . . . 25.0 107.912 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.61 66.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 117.49 0.645 . . . . 25.0 110.26 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.26 153.03 18.44 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 104.473 -3.451 . . . . 25.0 104.473 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.2 123.12 68.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 105.749 -1.945 . . . . 50.0 105.749 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.23 120.37 32.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.62 134.43 34.7 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.419 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.5 m-85 -122.99 113.8 19.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.61 -2.367 . . . . 25.0 104.61 175.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -113.64 133.7 55.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 123.535 1.636 . . . . 25.0 108.978 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 49' ' ' VAL 0.264 0.9 OUTLIER -145.9 140.47 21.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 N-CA-C 121.036 3.717 . . . . 50.0 121.036 -165.581 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -90.26 134.87 34.02 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 112.915 -1.948 . . . . 25.0 107.788 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.58 151.76 26.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.64 1.209 . . . . 25.0 113.466 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.18 168.39 40.39 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 103.432 -3.867 . . . . 25.0 103.432 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -113.27 136.47 52.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.518 -1.66 . . . . 25.0 106.518 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -116.25 146.98 41.94 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.107 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.7 p -88.75 -24.44 22.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.546 1.313 . . . . 25.0 114.546 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.0 m -99.79 152.42 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -107.36 171.45 7.37 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.183 0.992 . . . . 25.0 111.163 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -23.48 64.49 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.017 1.858 . . . . 25.0 116.017 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.262 0.8 OUTLIER -107.56 -15.19 14.66 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -73.61 153.49 89.58 Favored Pre-proline 0 C--N 1.297 -1.675 0 CA-C-N 111.601 -2.545 . . . . 25.0 108.863 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.2 170.8 17.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 120.483 0.789 . . . . 25.0 113.796 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 63.28 44.2 5.74 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.8 -16.86 59.93 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.966 1.099 . . . . 50.0 113.966 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.34 -42.11 23.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.133 0.968 . . . . 25.0 109.305 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -79.44 -43.7 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -172.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.32 -60.8 9.06 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 119.655 -0.818 . . . . 25.0 111.37 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.87 -24.79 46.0 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 115.021 -2.853 . . . . 25.0 114.751 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.35 -40.08 92.93 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.548 0.613 . . . . 25.0 110.549 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.57 -30.44 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -62.03 -47.67 83.69 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.078 -0.389 . . . . 25.0 111.299 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -54.23 -56.0 30.94 Favored Pre-proline 0 N--CA 1.471 0.621 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.13 -22.04 47.81 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 115.453 -2.565 . . . . 25.0 115.845 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.186 -0.321 . . . . 25.0 111.583 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 84.65 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.234 -0.654 . . . . 50.0 109.234 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -33.79 70.59 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -86.03 90.1 8.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -74.67 110.14 8.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.893 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 133.28 35.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.2 139.92 53.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.93 0.871 . . . . 25.0 110.344 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.9 m -127.41 157.67 39.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.359 -1.291 . . . . 25.0 110.52 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.3 m -129.88 131.96 46.25 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.95 131.06 53.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.54 114.59 19.61 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.88 122.82 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.91 124.78 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.78 133.89 47.09 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.16 103.25 24.61 Favored Pre-proline 0 N--CA 1.433 -1.311 1 N-CA-C 97.365 -5.05 . . . . 50.0 97.365 -171.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.57 -21.58 14.69 Favored 'Trans proline' 0 N--CA 1.452 -0.953 1 C-N-CA 106.528 -8.514 . . . . 25.0 115.14 -169.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.21 -29.13 65.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.652 -0.704 . . . . 25.0 112.884 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -111.23 -3.45 15.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.841 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.18 75.7 Favored Glycine 0 N--CA 1.461 0.327 0 CA-C-O 121.917 0.732 . . . . 25.0 111.694 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 p -103.8 167.43 9.79 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 123.926 0.89 . . . . 25.0 109.225 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.416 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.2 ptt? -148.27 156.97 43.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 169.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.7 m -141.72 139.46 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.288 0.635 . . . . 25.0 109.77 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.61 114.0 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -85.21 -31.33 23.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.195 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -153.41 140.99 19.88 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.846 0.355 . . . . 25.0 111.667 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 p -135.65 121.94 20.41 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 102.843 -3.021 . . . . 25.0 102.843 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -134.89 148.44 50.09 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 104.883 -2.266 . . . . 25.0 104.883 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.8 175.26 11.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -126.88 151.99 47.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 174.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.25 143.25 55.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 CA-C-O 117.908 -1.044 . . . . 25.0 109.586 179.644 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.303 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.26 147.13 20.3 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 116.339 -1.974 . . . . 25.0 113.309 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.7 ptm -148.88 148.71 30.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.21 150.55 24.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.015 -2.957 . . . . 25.0 103.015 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.47 156.0 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 104.756 -2.313 . . . . 25.0 104.756 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -75.77 155.57 35.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.67 -19.24 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -72.22 -30.65 65.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.971 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.295 1.0 OUTLIER -52.42 135.42 33.41 Favored 'General case' 0 CA--C 1.442 -3.185 0 N-CA-C 121.264 3.802 . . . . 25.0 121.264 176.493 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.43 -33.78 76.3 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 113.417 -1.719 . . . . 25.0 111.727 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.16 -22.89 72.9 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.146 -0.934 . . . . 25.0 111.441 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -88.73 -49.79 13.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 CA-C-N 117.916 0.858 . . . . 50.0 110.115 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -50.55 -47.39 57.76 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.199 0.454 . . . . 25.0 111.76 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -27.87 69.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.47 -32.06 22.47 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.9 -57.3 10.23 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 107.918 -1.141 . . . . 50.0 107.918 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.78 -35.23 79.6 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.484 0.49 . . . . 25.0 109.822 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.04 -48.91 79.56 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.99 79.55 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.283 1.1 t -73.97 -38.6 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.29 0 N-CA-C 106.635 -1.617 . . . . 50.0 106.635 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.32 -36.21 93.09 Favored Glycine 0 C--O 1.211 -1.285 0 N-CA-C 107.946 -2.062 . . . . 25.0 107.946 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.26 -28.9 25.04 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 122.481 1.134 . . . . 25.0 112.134 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.22 -62.91 1.39 Allowed 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.53 -52.0 6.46 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.172 -2.286 . . . . 25.0 112.015 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -71.77 -29.98 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.966 -178.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.06 67.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -73.17 151.26 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -87.09 54.59 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.593 0.711 . . . . 25.0 111.141 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.39 128.93 37.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.491 0.662 . . . . 25.0 110.285 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.5 mmt -72.82 -17.28 61.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.625 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.99 165.14 12.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.66 112.52 18.92 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -113.94 134.95 54.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -150.48 164.55 35.65 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.74 102.08 2.73 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 102.657 -3.09 . . . . 25.0 102.657 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -48.48 81.52 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -157.57 136.0 11.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.891 -1.05 . . . . 25.0 108.75 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -83.18 130.59 35.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.6 t -87.33 -45.87 16.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -146.5 151.02 36.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.76 118.98 8.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.51 168.89 24.07 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.23 0.538 . . . . 25.0 111.777 -175.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.52 48.68 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.074 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -125.65 108.92 12.02 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.791 -2.3 . . . . 25.0 104.791 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.34 138.54 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -180.0 -151.98 10.45 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.92 67.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 117.56 0.68 . . . . 25.0 109.773 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.48 155.55 20.52 Favored Glycine 0 N--CA 1.449 -0.483 1 N-CA-C 101.827 -4.509 . . . . 25.0 101.827 173.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.88 132.1 71.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 CA-C-N 119.111 1.456 . . . . 50.0 108.985 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -123.53 129.45 51.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.234 0.54 . . . . 25.0 110.123 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.33 132.95 42.57 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.551 -2.389 . . . . 25.0 104.551 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.8 m-85 -123.19 119.63 30.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.005 -1.479 . . . . 25.0 107.005 177.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -122.84 133.58 54.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -121.49 132.79 54.92 Favored 'General case' 0 CA--C 1.482 -1.635 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 49' ' ' VAL 0.296 0.9 OUTLIER -144.66 139.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 121.413 3.857 . . . . 50.0 121.413 -165.809 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -90.19 137.51 32.29 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 113.08 -1.873 . . . . 25.0 108.535 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.44 149.0 40.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.4 1.095 . . . . 25.0 113.699 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.25 172.15 42.75 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 103.834 -3.706 . . . . 25.0 103.834 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -121.02 140.43 51.93 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.6 p -101.78 146.79 27.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.702 0.763 . . . . 25.0 112.511 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.7 p -87.97 1.03 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.77 138.12 38.24 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.554 -1.203 . . . . 25.0 108.387 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 p -137.21 173.28 11.85 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.32 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -60.86 -23.63 65.3 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.148 1.536 . . . . 25.0 115.148 176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.267 0.7 OUTLIER -104.55 -14.79 15.54 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 118.451 2.76 . . . . 25.0 118.451 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -55.07 149.77 23.13 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-N 112.808 -1.997 . . . . 25.0 111.476 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.86 -19.48 20.81 Favored 'Trans proline' 0 C--O 1.219 -0.463 0 N-CA-C 118.325 2.394 . . . . 25.0 118.325 -172.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.75 77.57 1.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.513 0.597 . . . . 25.0 112.417 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.72 -13.76 62.38 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 116.367 1.988 . . . . 50.0 116.367 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.64 -42.33 11.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.491 1.138 . . . . 25.0 111.164 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -83.19 -34.98 25.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.847 -1.07 . . . . 25.0 113.607 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.34 -57.97 21.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 120.163 -0.615 . . . . 25.0 111.038 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.76 -22.78 42.78 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 116.578 -1.814 . . . . 25.0 113.573 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.78 -44.54 96.68 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -84.65 -29.65 25.52 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -47.27 84.49 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.712 -0.618 . . . . 25.0 110.627 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.99 -58.27 9.99 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.34 -26.22 48.61 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.978 -2.881 . . . . 25.0 115.309 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.55 107.34 0.66 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.947 0.88 . . . . 50.0 112.893 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 174.46 7.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 103.047 -2.945 . . . . 25.0 103.047 169.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 56.09 51.99 11.08 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.151 0.977 . . . . 25.0 111.133 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -75.42 110.26 9.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 153.07 22.26 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -123.98 124.17 42.0 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.666 1.222 . . . . 25.0 108.307 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 79.4 m -114.52 160.03 19.7 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.459 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.9 m -128.54 129.92 46.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -123.72 132.08 53.74 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.29 -0.868 . . . . 25.0 108.843 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -126.01 118.14 24.72 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.32 119.71 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -90.43 125.35 35.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.34 134.03 47.42 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.74 103.24 27.16 Favored Pre-proline 0 N--CA 1.434 -1.27 1 N-CA-C 96.684 -5.302 . . . . 50.0 96.684 -171.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -75.55 -19.15 17.0 Favored 'Trans proline' 0 N--CA 1.451 -0.998 1 C-N-CA 106.656 -8.43 . . . . 25.0 115.183 -168.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -61.78 -29.23 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -109.8 -3.46 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.399 0.142 . . . . 25.0 111.265 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.98 17.4 78.56 Favored Glycine 0 C--O 1.228 -0.228 0 CA-C-O 121.992 0.773 . . . . 25.0 111.423 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -103.05 167.32 9.9 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 123.573 0.749 . . . . 25.0 109.058 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 25.5 ptp -148.29 157.09 43.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 170.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -144.47 141.95 29.94 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.359 0.664 . . . . 25.0 109.894 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.63 115.25 5.61 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.809 -0.812 . . . . 50.0 108.809 175.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -91.5 -26.4 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.673 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -150.97 141.19 22.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.78 114.92 8.33 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 102.977 -2.971 . . . . 25.0 102.977 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -137.58 154.05 49.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.32 175.0 10.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -127.51 151.95 48.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 25.0 111.942 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -86.41 151.43 23.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 172.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.338 -1.315 . . . . 25.0 108.524 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.731 0 N-CA-C 103.616 -3.793 . . . . 25.0 103.616 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.51 139.63 23.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 115.556 -2.496 . . . . 25.0 112.513 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -149.0 148.73 30.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.392 . . . . 25.0 109.944 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 173.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.55 156.96 33.12 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -71.56 156.8 39.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.717 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.75 -19.43 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.272 0.558 . . . . 50.0 110.742 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.44 -28.03 60.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.186 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -54.39 136.86 43.32 Favored 'General case' 0 CA--C 1.439 -3.324 0 N-CA-C 120.183 3.401 . . . . 25.0 120.183 178.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -67.26 -27.48 67.24 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 113.341 -1.754 . . . . 25.0 112.05 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.51 -23.53 77.52 Favored Glycine 0 C--O 1.225 -0.42 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.491 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -88.47 -46.66 15.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-N 117.707 0.754 . . . . 50.0 110.637 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -51.26 -44.75 61.85 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -27.03 69.0 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 113.591 0.96 . . . . 25.0 113.591 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -33.82 21.69 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.49 -63.02 1.3 Allowed 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.37 -33.49 71.5 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.022 0.826 . . . . 25.0 110.538 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.28 -47.23 77.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.1 74.84 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.285 1.2 t -71.87 -40.44 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.09 -37.0 94.21 Favored Glycine 0 N--CA 1.435 -1.375 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 -175.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -85.51 -28.07 25.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.138 0.97 . . . . 25.0 111.813 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -87.06 -62.65 1.45 Allowed 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.307 1.966 . . . . 25.0 116.307 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.31 -53.0 5.78 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.627 -2.079 . . . . 25.0 111.94 -172.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -69.87 -30.86 68.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.039 -178.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.16 65.59 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 t -73.92 153.06 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.57 -0.741 . . . . 25.0 109.86 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -87.07 53.05 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.525 0.679 . . . . 25.0 110.131 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -67.01 128.9 38.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.4 mtm -75.61 -14.76 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.012 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -114.03 164.94 13.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.02 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -85.65 112.65 21.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -125.61 144.55 50.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.95 163.55 38.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 105.16 2.08 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 101.716 -3.438 . . . . 25.0 101.716 166.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.71 -49.9 64.54 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.879 0.847 . . . . 25.0 109.137 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.44 130.21 9.23 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.784 -1.553 . . . . 25.0 109.397 -170.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.491 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -76.87 132.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.91 -48.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -144.8 145.48 31.66 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.46 114.85 9.82 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -149.34 163.74 36.86 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-O 121.54 0.686 . . . . 25.0 111.747 -173.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 153.86 35.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.37 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 136.09 39.19 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 103.937 -2.616 . . . . 25.0 103.937 175.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 mm -124.43 132.29 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.08 -153.64 24.62 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 109.979 -1.248 . . . . 25.0 109.979 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -21.4 64.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.234 0.54 . . . . 25.0 110.9 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.67 135.37 8.35 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 104.295 -3.522 . . . . 25.0 104.295 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.72 131.06 66.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 105.137 -2.172 . . . . 50.0 105.137 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -137.31 117.88 13.89 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.868 -0.52 . . . . 25.0 110.02 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -91.64 134.86 34.33 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.0 m-85 -123.19 118.88 28.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.97 117.54 23.48 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -111.64 132.15 54.78 Favored 'General case' 0 CA--C 1.489 -1.399 0 CA-C-O 123.743 1.735 . . . . 25.0 109.052 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 49' ' ' VAL 0.253 0.9 OUTLIER -144.56 141.16 23.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 120.349 3.463 . . . . 50.0 120.349 -166.654 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -92.98 135.21 34.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.23 -1.805 . . . . 25.0 107.134 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.73 154.22 27.69 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.958 0.885 . . . . 25.0 111.161 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.42 147.11 10.34 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 105.459 -3.056 . . . . 25.0 105.459 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -77.91 136.06 37.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.355 -1.72 . . . . 25.0 106.355 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -92.76 144.84 24.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.971 0.415 . . . . 25.0 111.129 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -75.05 -19.47 60.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 25.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.7 m -105.2 165.84 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.559 . . . . 25.0 112.389 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 165.52 13.98 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 123.266 1.508 . . . . 25.0 113.151 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.64 -19.4 63.75 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 111.949 -2.387 . . . . 25.0 115.433 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.273 0.8 OUTLIER -108.67 -15.08 14.49 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 117.825 2.528 . . . . 25.0 117.825 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -60.46 153.37 60.65 Favored Pre-proline 0 C--N 1.3 -1.562 0 CA-C-N 112.623 -2.081 . . . . 25.0 114.128 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.4 18.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.79 2.327 . . . . 25.0 117.453 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -140.55 40.55 1.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.003 1.112 . . . . 25.0 114.003 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -12.43 38.84 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.389 1.996 . . . . 50.0 116.389 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -90.73 -42.06 10.92 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.701 -0.799 . . . . 25.0 110.557 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -81.59 -37.19 28.04 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.03 -54.87 46.26 Favored Pre-proline 0 C--O 1.216 -0.698 0 C-N-CA 119.659 -0.816 . . . . 25.0 110.481 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -64.72 -24.61 61.94 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 114.614 -3.124 . . . . 25.0 114.152 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -38.17 89.87 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 174.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -81.45 -19.65 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.301 0.572 . . . . 25.0 112.205 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.15 -31.45 55.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -55.1 -54.64 48.04 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.43 -23.36 44.08 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 113.391 -3.94 . . . . 25.0 114.557 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -76.69 -11.52 59.86 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 98.48 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 176.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -76.75 -12.4 59.98 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.136 0.493 . . . . 25.0 110.204 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -130.71 132.01 45.11 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.643 -3.095 . . . . 25.0 102.643 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -96.57 141.79 29.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.13 130.36 52.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.17 139.98 53.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.279 1.038 . . . . 25.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 157.41 36.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.962 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.3 m -129.84 121.32 26.51 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -114.41 134.37 55.04 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -130.5 123.01 28.69 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.9 mt -117.62 118.07 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -90.39 125.99 35.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.244 -1.762 . . . . 25.0 106.244 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.15 136.04 44.51 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.46 103.31 34.92 Favored Pre-proline 0 N--CA 1.433 -1.288 1 N-CA-C 96.556 -5.35 . . . . 50.0 96.556 -170.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.06 -21.66 15.51 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 106.694 -8.404 . . . . 25.0 114.757 -169.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -61.73 -18.38 59.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -123.58 1.19 8.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.645 0.26 . . . . 25.0 110.703 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.41 14.96 69.89 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-O 122.055 0.808 . . . . 25.0 112.188 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -101.57 167.46 10.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.7 ptt? -148.32 157.56 43.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.0 m -140.38 138.94 35.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.045 0.538 . . . . 25.0 109.946 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.45 111.83 3.27 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 107.851 -1.166 . . . . 50.0 107.851 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -84.15 -27.88 27.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.346 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -155.33 144.84 21.18 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.9 p -144.38 114.42 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.194 -2.15 . . . . 25.0 105.194 172.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -131.21 148.92 52.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -151.09 170.45 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.774 1.027 . . . . 25.0 113.774 -173.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -122.31 160.26 25.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.51 -1.223 . . . . 25.0 107.878 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.67 112.63 2.33 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.673 1.361 . . . . 25.0 114.673 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.66 -0.686 . . . . 25.0 111.318 177.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 104.627 -3.389 . . . . 25.0 104.627 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 97.9 Cg_endo -73.6 138.29 26.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 115.596 -2.47 . . . . 25.0 112.928 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -148.78 150.71 33.56 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 147.08 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 159.41 29.34 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -70.98 156.49 39.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 m -64.72 -17.74 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.517 0.675 . . . . 50.0 111.732 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.65 -16.05 40.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.344 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.259 0.6 OUTLIER -57.99 146.39 32.73 Favored 'General case' 0 CA--C 1.455 -2.691 0 N-CA-C 120.985 3.698 . . . . 25.0 120.985 175.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -55.5 -42.68 74.78 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 112.52 -2.127 . . . . 25.0 111.693 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.65 -21.32 78.84 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 114.815 -1.084 . . . . 25.0 113.246 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.54 -48.57 14.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 118.353 1.077 . . . . 50.0 110.541 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -52.63 -42.41 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.78 -25.24 67.16 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -34.44 22.09 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 107.429 -1.322 . . . . 25.0 107.429 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 31' ' ' VAL . 22.4 mt -59.44 -63.0 1.46 Allowed 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 109.465 -0.569 . . . . 50.0 109.465 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -71.01 -24.53 62.39 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -70.99 -43.91 67.02 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.356 -0.538 . . . . 25.0 109.6 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.83 89.47 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 27' ' ' LEU . 1.2 t -82.74 -22.68 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.252 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -59.85 -37.48 92.59 Favored Glycine 0 C--O 1.198 -2.095 0 N-CA-C 103.71 -3.756 . . . . 25.0 103.71 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.41 -28.09 25.35 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 123.335 1.54 . . . . 25.0 113.413 -176.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -85.64 -62.83 1.44 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 123.402 1.572 . . . . 25.0 114.239 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -83.76 -51.93 6.82 Favored 'General case' 0 CA--C 1.476 -1.883 1 N-CA-C 122.75 4.352 . . . . 25.0 122.75 174.818 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -64.44 -26.07 68.29 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.14 -32.17 26.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.8 m -96.13 159.5 14.93 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.277 1.584 . . . . 25.0 115.277 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -97.98 52.53 1.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.14 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -68.43 128.11 35.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.58 -12.77 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.053 -0.522 . . . . 25.0 111.053 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -123.87 164.22 19.68 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -88.59 112.41 23.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.121 -1.432 . . . . 25.0 108.673 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.44 128.59 41.61 Favored 'General case' 0 C--O 1.18 -2.557 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 165.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -155.49 171.22 20.29 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -164.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 102.21 0.07 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.98 -48.36 30.93 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-O 122.041 0.924 . . . . 25.0 110.322 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -149.62 131.1 14.79 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.665 -1.607 . . . . 25.0 108.58 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -82.76 130.28 36.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -87.74 -45.4 16.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -143.98 146.07 32.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.9 103.21 4.15 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -139.59 168.05 20.7 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-O 121.96 0.886 . . . . 25.0 113.028 -175.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 143.81 30.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.683 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 66.9 tt0 -98.95 134.78 41.32 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.06 134.04 66.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.93 -148.52 8.32 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 106.226 -2.75 . . . . 25.0 106.226 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.16 68.18 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 117.906 0.853 . . . . 25.0 110.12 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.72 163.18 20.72 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 104.798 -3.321 . . . . 25.0 104.798 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.9 t -122.97 128.24 75.08 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 N-CA-C 106.176 -1.787 . . . . 50.0 106.176 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 123.82 31.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.921 -0.487 . . . . 25.0 110.443 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.69 134.77 34.42 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.164 -1.421 . . . . 25.0 107.164 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.421 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 97.5 m-85 -123.27 113.5 18.97 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.01 116.73 25.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -109.08 134.39 51.75 Favored 'General case' 0 CA--C 1.49 -1.355 0 CA-C-O 123.497 1.617 . . . . 25.0 108.732 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 49' ' ' VAL 0.268 0.9 OUTLIER -145.83 140.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 121.324 3.824 . . . . 50.0 121.324 -165.638 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.01 134.92 34.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.191 -1.822 . . . . 25.0 108.629 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.88 155.6 26.52 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 122.486 1.136 . . . . 25.0 110.761 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.24 163.79 35.44 Favored Glycine 0 N--CA 1.434 -1.478 0 N-CA-C 105.808 -2.917 . . . . 25.0 105.808 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -91.64 129.81 37.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 p -108.9 146.24 34.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.52 0.676 . . . . 25.0 111.845 -174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -76.88 -20.99 55.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.989 -1.005 . . . . 25.0 112.727 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.4 m -126.72 160.05 31.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.449 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 6.5 p -95.46 172.56 8.0 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.003 -1.453 . . . . 25.0 110.214 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -64.91 -14.59 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.2 -14.46 14.18 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 118.583 2.809 . . . . 25.0 118.583 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.449 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.9 mm100 -50.9 153.46 2.99 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 112.361 -2.2 . . . . 25.0 112.982 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.04 -7.34 20.59 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 N-CA-C 118.05 2.289 . . . . 25.0 118.05 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.48 57.28 1.81 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.36 -10.64 17.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.63 1.715 . . . . 50.0 115.63 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -42.36 16.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.739 1.257 . . . . 25.0 108.757 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -84.41 -37.48 21.42 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 114.452 -1.249 . . . . 25.0 114.242 -172.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.04 -55.37 46.15 Favored Pre-proline 0 C--O 1.216 -0.706 0 C-N-CA 119.695 -0.802 . . . . 25.0 111.44 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.14 -26.23 25.99 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 114.404 -3.264 . . . . 25.0 114.064 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.1 -33.17 72.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 118.431 0.56 . . . . 25.0 110.521 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -83.54 -41.72 17.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.582 0.706 . . . . 25.0 111.65 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.46 -42.76 82.49 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -59.95 -51.07 83.21 Favored Pre-proline 0 N--CA 1.467 0.409 0 C-N-CA 118.657 -1.217 . . . . 25.0 113.778 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.72 -20.44 35.0 Favored 'Trans proline' 0 CA--C 1.539 0.75 1 C-N-CA 112.9 -4.267 . . . . 25.0 114.126 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -66.14 -37.03 84.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 86.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 50.0 110.838 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 174.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -91.31 80.03 5.59 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.22 112.45 8.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.56 140.83 33.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -123.94 137.55 54.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.893 0.854 . . . . 25.0 109.157 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.9 m -129.19 156.6 43.68 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.417 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.4 m -129.85 130.04 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.03 130.06 55.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -127.65 113.26 15.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.4 mt -107.84 122.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.1 124.0 35.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.5 135.8 41.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 104.651 -2.352 . . . . 25.0 104.651 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.51 103.15 19.3 Favored Pre-proline 0 N--CA 1.436 -1.153 1 N-CA-C 96.044 -5.539 . . . . 50.0 96.044 -173.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.36 -21.62 15.02 Favored 'Trans proline' 0 N--CA 1.451 -0.983 1 C-N-CA 106.832 -8.312 . . . . 25.0 115.004 -167.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -60.22 -29.25 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.32 -0.855 . . . . 25.0 113.296 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -109.53 -4.32 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.492 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.54 77.1 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-O 121.71 0.617 . . . . 25.0 111.711 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -103.3 167.18 9.98 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.426 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.5 ptt? -148.08 157.61 43.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 170.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -139.89 138.89 36.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.259 0.623 . . . . 25.0 109.468 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.58 115.53 5.88 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.066 -1.457 . . . . 50.0 107.066 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.9 t -83.35 -35.2 25.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.449 0.642 . . . . 25.0 109.829 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -150.67 141.04 22.37 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.922 -0.581 . . . . 25.0 112.293 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 128.14 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 171.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -140.02 147.19 40.04 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -129.46 156.23 44.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -85.31 147.2 26.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.587 0 N-CA-C 108.672 -1.771 . . . . 25.0 108.672 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 92.0 Cg_endo -72.91 146.91 42.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 CA-C-N 119.217 1.508 . . . . 25.0 113.02 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.02 149.05 30.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.31 150.52 24.28 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 103.832 -2.655 . . . . 25.0 103.832 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . . . -126.65 150.44 48.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 173.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -69.69 155.84 39.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.72 -21.52 29.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.77 -30.21 69.6 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.97 -1.013 . . . . 25.0 111.991 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 0.5 OUTLIER -49.97 135.45 20.14 Favored 'General case' 0 CA--C 1.447 -2.996 1 N-CA-C 122.312 4.19 . . . . 25.0 122.312 176.108 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.27 -31.39 72.53 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 112.967 -1.924 . . . . 25.0 111.877 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -23.35 78.19 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.343 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -88.28 -54.02 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.577 0.688 . . . . 50.0 111.408 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -52.02 -42.24 62.88 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.225 0.466 . . . . 25.0 112.254 -175.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -30.09 71.22 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.784 -0.767 . . . . 25.0 113.067 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.29 -34.63 21.86 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.64 -61.13 2.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.65 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.84 0.713 . . . . 25.0 109.528 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.77 -49.53 70.38 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.18 84.45 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.282 1.1 t -74.8 -38.43 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 N-CA-C 105.37 -2.085 . . . . 50.0 105.37 -174.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.73 92.43 Favored Glycine 0 C--O 1.207 -1.56 0 N-CA-C 108.114 -1.994 . . . . 25.0 108.114 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -85.48 -29.08 24.57 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.919 0.866 . . . . 25.0 112.015 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -87.24 -62.9 1.4 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 123.848 1.785 . . . . 25.0 115.304 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -84.55 -51.38 6.92 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 111.764 -2.471 . . . . 25.0 112.248 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -72.21 -30.16 64.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.788 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.86 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -80.3 157.09 26.5 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.063 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -98.64 53.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.27 0.557 . . . . 25.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.06 132.17 51.03 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.367 0.604 . . . . 25.0 109.565 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.2 ptm -63.82 -20.12 65.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.445 ' HB2' ' HD3' ' A' ' 70' ' ' ARG . 37.3 m-85 -131.39 164.91 24.65 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 104.635 -2.357 . . . . 25.0 104.635 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 74' ' ' THR . 73.0 m-70 -79.75 112.43 17.03 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 111.901 -176.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -101.51 143.22 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -156.33 163.58 39.33 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.71 102.58 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 101.79 -3.411 . . . . 25.0 101.79 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.78 -48.2 55.5 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-O 121.87 0.843 . . . . 25.0 110.571 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.18 130.85 14.03 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 113.78 -1.555 . . . . 25.0 109.172 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.49 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.5 125.72 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 177.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -83.7 -43.25 17.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -143.61 138.31 28.94 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.76 105.61 5.9 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 161.15 38.67 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 121.531 0.681 . . . . 25.0 110.996 -173.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -151.33 156.31 40.5 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.796 -178.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.8 tt0 -98.78 135.72 39.84 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 177.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.9 mm -120.49 130.79 74.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.79 -153.11 24.25 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 109.866 -1.294 . . . . 25.0 109.866 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.91 -14.67 55.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.21 0.529 . . . . 25.0 111.54 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.02 138.42 9.77 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 103.896 -3.682 . . . . 25.0 103.896 174.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.99 128.55 73.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -137.25 116.76 12.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.864 -0.522 . . . . 25.0 110.078 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -93.52 134.46 35.76 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 122.56 0.344 . . . . 25.0 110.096 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -123.34 117.44 25.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.1 117.73 29.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.117 -1.809 . . . . 25.0 106.117 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -113.88 128.65 56.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 123.794 1.759 . . . . 25.0 107.147 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -140.86 141.23 32.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 120.27 3.433 . . . . 50.0 120.27 -165.022 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -98.7 132.94 43.7 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 112.728 -2.033 . . . . 25.0 107.973 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.59 151.91 25.48 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 122.343 1.068 . . . . 25.0 113.131 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.2 152.71 24.75 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 103.275 -3.93 . . . . 25.0 103.275 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HD3' ' HB2' ' A' ' 42' ' ' TYR . 44.0 mtt85 -105.88 113.08 26.41 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -88.5 146.11 25.37 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.9 p -80.96 -5.11 57.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.018 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.6 p -99.91 161.47 13.59 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.527 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -135.3 175.48 9.54 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.197 -0.91 . . . . 25.0 113.255 -174.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -57.84 -26.1 61.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.299 0.8 OUTLIER -107.77 -14.82 14.71 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 116.054 1.872 . . . . 25.0 116.054 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.527 ' HB2' ' H ' ' A' ' 74' ' ' THR . 74.5 mm-40 -79.46 153.12 76.24 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 111.839 -2.437 . . . . 25.0 109.418 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -79.56 178.45 7.34 Favored 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 122.641 2.228 . . . . 25.0 115.295 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 59.49 45.48 13.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.987 1.847 . . . . 25.0 115.987 173.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.66 -10.33 35.18 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.421 1.637 . . . . 50.0 115.421 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -41.94 12.77 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.217 1.008 . . . . 25.0 108.934 176.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -83.91 -34.29 24.55 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.15 -57.26 28.41 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.535 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.11 -24.52 27.97 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 115.709 -2.394 . . . . 25.0 113.583 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -65.99 -29.56 69.96 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 118.205 0.457 . . . . 25.0 110.816 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -84.77 -32.55 23.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 25.0 111.326 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -46.37 88.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 122.465 0.306 . . . . 25.0 111.269 -175.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.56 -57.67 17.77 Favored Pre-proline 0 N--CA 1.468 0.452 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.95 -19.63 39.82 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 114.447 -3.235 . . . . 25.0 114.501 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.95 -20.29 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.73 -0.606 . . . . 25.0 111.054 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.17 91.41 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.716 1.376 . . . . 50.0 114.716 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -32.44 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.148 -2.168 . . . . 25.0 105.148 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -76.61 133.45 39.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.185 -2.524 . . . . 25.0 104.185 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -123.61 109.78 14.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.328 0.513 . . . . 25.0 109.847 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.22 126.75 55.56 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -123.12 138.43 54.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.387 1.089 . . . . 25.0 111.098 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 82.1 m -124.57 155.86 38.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.273 -1.33 . . . . 25.0 111.314 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 t -129.78 120.98 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -115.66 128.86 56.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -127.14 124.86 40.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.8 mt -117.2 118.51 58.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -90.24 127.29 36.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -106.25 134.3 49.59 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 103.36 31.99 Favored Pre-proline 0 N--CA 1.433 -1.279 1 N-CA-C 96.965 -5.198 . . . . 50.0 96.965 -169.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.24 -22.44 14.4 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.422 -8.585 . . . . 25.0 114.617 -168.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -62.81 -16.65 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.46 0.08 8.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.691 0.282 . . . . 25.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.06 16.41 70.69 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-O 122.073 0.818 . . . . 25.0 112.24 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -106.08 167.19 9.97 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 123.753 0.821 . . . . 25.0 109.428 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.422 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.6 ptt? -148.29 157.48 43.51 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 169.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.0 m -141.05 140.34 34.23 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.145 0.578 . . . . 25.0 109.898 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.2 tp -65.49 111.75 3.25 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.807 -1.183 . . . . 50.0 107.807 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.5 t -84.92 -31.87 23.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.52 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.5 145.73 28.04 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.9 t -148.17 116.42 6.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.82 -2.289 . . . . 25.0 104.82 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.99 151.15 47.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.225 -1.769 . . . . 25.0 106.225 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.86 17.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -125.13 136.63 53.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -86.29 151.84 23.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.791 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 173.378 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.406 0 CA-C-O 120.247 -0.196 . . . . 25.0 113.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.23 152.73 75.72 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.631 1.215 . . . . 25.0 114.666 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 ptm -135.89 142.54 44.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.23 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.39 140.1 31.79 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.72 165.69 11.83 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.9 p -83.19 154.13 24.4 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -69.37 -20.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 119.233 0.924 . . . . 50.0 108.884 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.03 -20.83 59.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 25.0 111.728 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.23 140.57 21.09 Favored 'General case' 0 CA--C 1.446 -3.054 0 N-CA-C 121.006 3.706 . . . . 25.0 121.006 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -58.42 -39.97 81.21 Favored 'General case' 0 N--CA 1.413 -2.293 0 CA-C-N 112.708 -2.042 . . . . 25.0 110.353 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.83 -23.44 78.0 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 114.853 -1.067 . . . . 25.0 112.348 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.8 t -87.7 -52.57 11.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 CA-C-N 117.986 0.893 . . . . 50.0 111.201 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -51.18 -45.35 61.77 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 119.054 0.843 . . . . 25.0 112.809 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -28.1 69.36 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.44 -35.03 21.51 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.23 -57.58 9.06 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.83 -33.35 75.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.77 -48.68 75.97 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.41 76.3 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 1.1 t -72.09 -40.54 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 105.531 -2.025 . . . . 50.0 105.531 -173.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.9 -37.11 94.37 Favored Glycine 0 C--O 1.211 -1.322 0 N-CA-C 108.832 -1.707 . . . . 25.0 108.832 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -85.32 -28.3 25.34 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 122.161 0.981 . . . . 25.0 112.104 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.83 -62.92 1.4 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.551 1.685 . . . . 25.0 115.551 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.89 -52.76 6.09 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.1 -2.318 . . . . 25.0 112.404 -171.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 5.4 tmtt? -70.53 -29.86 66.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.702 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.41 -32.0 64.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 t -77.63 155.1 31.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.256 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -91.99 54.87 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.467 0.651 . . . . 25.0 110.152 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.65 130.17 42.6 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.1 mtt -69.17 -18.77 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.639 -0.709 . . . . 25.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.87 163.05 17.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -88.18 112.67 23.0 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 m -119.28 144.8 46.59 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.78 166.84 30.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.29 102.33 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 171.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.63 -47.21 33.38 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.107 0.956 . . . . 25.0 111.556 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -144.54 121.86 11.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.999 -1.455 . . . . 25.0 109.252 -170.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -82.4 129.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.396 -1.335 . . . . 50.0 107.396 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.2 t -88.05 -43.78 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -145.54 144.0 30.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.297 -0.41 . . . . 25.0 110.807 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 114.72 7.21 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.35 165.32 32.36 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.701 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.74 139.29 53.25 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -99.51 129.71 45.7 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.818 -2.29 . . . . 25.0 104.818 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.8 mm -107.46 142.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.99 -158.54 31.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 106.815 -2.514 . . . . 25.0 106.815 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.52 66.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.721 0.761 . . . . 25.0 109.393 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.53 158.34 19.03 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 104.746 -3.342 . . . . 25.0 104.746 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.56 136.13 60.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 107.378 -1.341 . . . . 50.0 107.378 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -131.84 126.4 34.18 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.797 -0.565 . . . . 25.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.76 111.21 22.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -98.78 114.3 26.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.28 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.75 136.8 53.57 Favored 'General case' 0 CA--C 1.479 -1.766 0 CA-C-O 123.285 1.517 . . . . 25.0 107.504 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 141.97 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 120.403 3.483 . . . . 50.0 120.403 -166.375 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.52 130.1 37.4 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.055 -1.884 . . . . 25.0 108.777 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.85 150.38 25.64 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 122.309 1.052 . . . . 25.0 111.835 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.75 164.11 36.73 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 104.673 -3.371 . . . . 25.0 104.673 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -101.7 136.41 41.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 104.668 -2.345 . . . . 25.0 104.668 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -107.3 152.55 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.337 1.236 . . . . 25.0 114.337 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.8 p -83.56 4.13 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.992 -1.004 . . . . 25.0 113.356 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.2 p -129.06 164.82 22.43 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.364 1.078 . . . . 25.0 113.383 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 p -114.69 174.24 6.07 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-N 114.337 -1.301 . . . . 25.0 109.191 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -58.98 -22.29 60.14 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 115.689 1.737 . . . . 25.0 115.689 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.306 0.8 OUTLIER -107.28 -14.6 14.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 119.884 3.29 . . . . 25.0 119.884 -179.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -55.54 145.66 48.33 Favored Pre-proline 0 C--N 1.298 -1.631 0 CA-C-N 111.462 -2.608 . . . . 25.0 111.493 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -83.38 10.06 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.766 2.311 . . . . 25.0 116.233 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -124.06 31.37 5.83 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 -173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -10.46 7.5 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 118.704 2.853 . . . . 50.0 118.704 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -87.81 -41.92 12.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.81 1.186 . . . . 25.0 109.418 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -77.71 -36.61 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.022 -0.99 . . . . 25.0 112.41 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.09 -64.53 2.23 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 119.177 -0.439 . . . . 25.0 111.646 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -69.1 -26.78 30.34 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 114.54 -3.173 . . . . 25.0 113.738 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.73 -40.61 84.27 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 118.21 0.459 . . . . 25.0 111.193 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -84.81 -31.96 23.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.82 -43.17 76.08 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.43 -52.83 70.14 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.84 -15.4 29.78 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 114.849 -2.968 . . . . 25.0 114.545 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -76.94 -15.32 59.7 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.84 -0.538 . . . . 25.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.32 90.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 50.0 112.013 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -74.35 -32.06 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -96.97 128.53 44.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 103.217 -2.883 . . . . 25.0 103.217 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -110.72 110.11 20.63 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.61 137.88 31.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.14 138.61 54.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -129.17 154.92 46.28 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.15 -0.932 . . . . 25.0 110.565 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 m -129.94 130.41 45.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -125.79 128.04 47.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -123.39 111.28 16.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.875 -0.602 . . . . 25.0 109.528 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.79 118.31 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -90.52 123.88 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.95 135.53 42.25 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.259 -2.497 . . . . 25.0 104.259 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.88 103.57 25.77 Favored Pre-proline 0 N--CA 1.433 -1.301 1 N-CA-C 96.2 -5.482 . . . . 50.0 96.2 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.72 -22.36 13.66 Favored 'Trans proline' 0 N--CA 1.452 -0.92 1 C-N-CA 106.509 -8.528 . . . . 25.0 114.964 -167.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -59.19 -32.64 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 25.0 112.66 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -106.03 -2.39 22.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.63 17.37 74.79 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-O 121.985 0.769 . . . . 25.0 111.835 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -104.62 167.19 9.89 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.937 0.895 . . . . 25.0 108.976 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.416 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 10.1 ptm -148.15 157.45 43.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -146.1 141.32 27.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.129 0.572 . . . . 25.0 110.25 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.0 115.75 6.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -89.4 -32.9 17.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.877 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -150.43 140.48 22.04 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.328 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 p -141.83 122.98 14.68 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.815 -2.291 . . . . 25.0 104.815 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -137.34 152.1 49.34 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.86 170.74 17.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.846 0.355 . . . . 25.0 111.701 -176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.57 155.04 34.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -68.15 143.22 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.998 -1.001 . . . . 25.0 109.318 -179.667 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.429 0 CA-C-O 119.071 -0.85 . . . . 25.0 114.537 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 96.2 Cg_endo -71.34 141.32 38.74 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-N 119.731 1.766 . . . . 25.0 115.644 -176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -137.79 147.57 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.32 143.25 26.56 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.09 162.16 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.1 0.476 . . . . 25.0 110.151 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -77.76 159.25 29.18 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 m -65.31 -19.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.659 0.266 . . . . 50.0 111.219 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -86.4 -7.24 58.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.767 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.306 1.1 mp0 -63.69 141.04 58.91 Favored 'General case' 0 CA--C 1.449 -2.934 0 N-CA-C 117.889 2.551 . . . . 25.0 117.889 170.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -52.3 -46.59 66.01 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-N 111.365 -2.652 . . . . 25.0 112.506 -174.412 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' H ' ' CD ' ' A' ' 21' ' ' GLU . . . -70.44 -23.14 77.75 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.445 -0.798 . . . . 25.0 112.418 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.13 -53.19 12.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 118.155 0.977 . . . . 50.0 108.68 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -49.45 -48.27 47.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -30.06 70.7 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.68 -27.98 24.99 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.6 -59.57 4.13 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 108.104 -1.073 . . . . 50.0 108.104 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -65.66 -35.83 81.91 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.44 -48.65 80.2 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.38 79.28 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.0 OUTLIER -71.85 -40.88 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -173.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.43 -36.69 93.72 Favored Glycine 0 N--CA 1.436 -1.336 0 N-CA-C 108.758 -1.737 . . . . 25.0 108.758 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -85.61 -28.0 25.09 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.163 0.982 . . . . 25.0 111.895 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -87.06 -63.08 1.36 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.629 1.715 . . . . 25.0 115.629 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -84.17 -53.4 5.54 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 112.255 -2.248 . . . . 25.0 111.626 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.66 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.078 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.21 65.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -75.62 153.67 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.172 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.05 53.72 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.79 0.805 . . . . 25.0 108.909 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -66.04 131.28 45.83 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.81 -12.77 60.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.283 0.564 . . . . 25.0 110.71 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -121.01 165.96 14.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.55 112.4 22.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.057 -0.657 . . . . 25.0 109.998 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -110.97 139.37 46.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -144.34 166.11 26.01 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 102.08 4.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 101.146 -3.649 . . . . 25.0 101.146 170.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.46 -46.47 82.97 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.709 0.766 . . . . 25.0 110.438 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -157.53 130.5 7.6 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.882 -1.508 . . . . 25.0 108.858 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 66' ' ' VAL . 2.2 t -80.35 131.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.6 t -92.9 -44.07 13.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.919 -1.037 . . . . 50.0 108.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -141.48 148.51 39.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 116.11 6.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.47 167.1 29.9 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 152.05 32.77 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.991 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.0 tt0 -98.67 129.59 45.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.76 129.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.92 -165.05 37.41 Favored Glycine 0 C--O 1.227 -0.338 0 N-CA-C 109.513 -1.435 . . . . 25.0 109.513 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.3 -20.25 65.96 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.199 0.524 . . . . 25.0 110.407 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.76 136.57 9.75 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 105.036 -3.225 . . . . 25.0 105.036 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.48 134.78 57.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.31 123.33 20.27 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.53 134.14 38.73 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.442 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.6 m-85 -123.22 114.4 20.21 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.39 132.35 54.33 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -119.76 133.68 55.52 Favored 'General case' 0 CA--C 1.474 -1.953 0 CA-C-O 123.517 1.627 . . . . 25.0 106.959 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -142.53 138.98 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 110.014 -3.267 . . . . 50.0 118.851 -168.862 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.7 137.16 32.57 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.887 -1.961 . . . . 25.0 108.048 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.9 mp -113.72 155.69 25.14 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.208 1.004 . . . . 25.0 113.629 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.57 134.29 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 106.279 -2.728 . . . . 25.0 106.279 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -91.24 142.48 27.67 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 117.949 0.875 . . . . 25.0 111.366 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -115.98 153.4 31.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.127 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -93.01 0.07 57.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.09 155.8 17.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.668 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 9.1 p -141.43 178.7 7.25 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -175.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -59.55 -24.01 63.35 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 115.77 1.767 . . . . 25.0 115.77 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER -106.9 -14.46 14.96 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 117.2 2.296 . . . . 25.0 117.2 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.668 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.2 mm100 -64.08 153.53 84.91 Favored Pre-proline 0 C--N 1.298 -1.65 0 CA-C-N 112.101 -2.318 . . . . 25.0 111.251 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.72 163.56 36.95 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 121.32 1.347 . . . . 25.0 114.136 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 56.12 56.02 6.27 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 116.649 2.092 . . . . 25.0 116.649 173.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.35 -10.75 26.49 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 114.269 1.211 . . . . 50.0 114.269 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -41.95 17.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.983 1.373 . . . . 25.0 109.308 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -84.26 -36.37 22.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 114.356 -1.293 . . . . 25.0 113.551 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -60.02 -56.69 33.05 Favored Pre-proline 0 C--O 1.218 -0.581 0 C-N-CA 119.464 -0.894 . . . . 25.0 111.521 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.24 -27.13 41.4 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 115.2 -2.733 . . . . 25.0 114.554 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -57.37 -40.05 77.33 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -84.76 -19.6 32.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.674 0.991 . . . . 25.0 113.674 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.81 -55.88 28.75 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 118.58 0.627 . . . . 25.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -51.09 -55.91 24.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.26 -21.03 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 114.068 -3.488 . . . . 25.0 114.898 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -70.05 -39.23 75.84 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.537 -0.727 . . . . 25.0 109.989 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.85 83.12 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.347 1.07 . . . . 50.0 113.656 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -81.76 -12.45 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 168.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -82.95 73.3 10.0 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.859 -1.534 . . . . 25.0 106.859 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -76.82 109.93 11.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.49 143.39 49.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -124.35 145.94 49.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.25 1.024 . . . . 25.0 112.282 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.58 154.86 44.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.093 -1.412 . . . . 25.0 109.576 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -129.9 131.01 45.89 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.51 127.48 49.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.31 115.48 22.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 108.709 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 33.9 mt -113.65 116.93 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -90.27 123.8 34.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.05 135.22 45.13 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 104.894 -2.262 . . . . 25.0 104.894 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.41 103.27 30.26 Favored Pre-proline 0 N--CA 1.433 -1.32 1 N-CA-C 95.589 -5.708 . . . . 50.0 95.589 -171.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.24 -23.53 13.33 Favored 'Trans proline' 0 N--CA 1.454 -0.829 1 C-N-CA 106.543 -8.505 . . . . 25.0 113.484 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.2 -19.93 63.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.671 -1.149 . . . . 25.0 112.954 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -119.16 1.1 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.718 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.94 27.93 72.84 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-O 122.4 1.0 . . . . 25.0 112.527 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.08 167.67 16.42 Favored 'General case' 0 CA--C 1.497 -1.076 0 C-N-CA 124.15 0.98 . . . . 25.0 108.82 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.422 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 23.0 ptt? -148.26 157.46 43.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.3 m -142.84 140.15 31.17 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.058 0.543 . . . . 25.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.0 113.39 4.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -84.01 -32.71 24.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.013 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -152.98 140.34 19.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.886 0.374 . . . . 25.0 111.112 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 127.19 27.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 103.073 -2.936 . . . . 25.0 103.073 171.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -138.85 148.17 43.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.98 170.79 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -136.5 143.02 43.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 175.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.37 149.82 24.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.196 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.38 126.57 13.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 114.595 -3.137 . . . . 25.0 111.695 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -148.95 149.71 31.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.464 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 133.57 39.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.792 -2.67 . . . . 25.0 103.792 167.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.22 165.38 11.42 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.023 -2.954 . . . . 25.0 103.023 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.68 155.39 26.81 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 104.684 -2.339 . . . . 25.0 104.684 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 m -67.17 -16.43 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.586 0.232 . . . . 50.0 111.14 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.8 -11.77 43.95 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.644 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.3 0.5 OUTLIER -52.41 140.27 22.64 Favored 'General case' 0 CA--C 1.441 -3.219 0 N-CA-C 119.706 3.225 . . . . 25.0 119.706 170.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.52 -41.07 80.14 Favored 'General case' 0 N--CA 1.411 -2.396 0 CA-C-N 112.517 -2.128 . . . . 25.0 110.153 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.41 -23.4 75.09 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 114.603 -1.181 . . . . 25.0 112.739 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.7 -53.14 10.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 118.648 1.224 . . . . 50.0 111.223 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -50.7 -45.24 58.25 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 118.934 0.788 . . . . 25.0 112.82 -176.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.54 70.56 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.53 -29.29 24.32 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.714 -1.217 . . . . 25.0 107.714 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.51 -58.11 7.3 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 109.473 -0.565 . . . . 50.0 109.473 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.45 -32.99 73.39 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.13 -44.96 86.96 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.928 -0.768 . . . . 25.0 108.928 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.27 78.11 Favored 'General case' 0 C--O 1.208 -1.099 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.259 1.0 OUTLIER -77.24 -36.62 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.189 0 N-CA-C 105.327 -2.101 . . . . 50.0 105.327 -175.261 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.49 -35.12 91.62 Favored Glycine 0 C--O 1.199 -2.082 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -85.46 -28.59 24.94 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 122.015 0.912 . . . . 25.0 111.849 -176.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.31 -63.11 1.35 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.84 1.793 . . . . 25.0 115.84 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -84.56 -53.62 5.28 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.222 -2.263 . . . . 25.0 111.654 -171.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.41 -31.37 70.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.824 -0.625 . . . . 25.0 110.135 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.0 66.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.3 m -79.81 159.64 26.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.218 -0.901 . . . . 25.0 110.324 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.48 58.17 4.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.062 0.934 . . . . 25.0 109.679 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -65.5 128.95 37.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -77.38 -12.7 59.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.743 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -126.04 163.79 22.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.939 -0.764 . . . . 25.0 108.939 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.99 112.39 20.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 m -118.31 147.91 43.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -149.5 158.19 43.95 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.717 -0.393 . . . . 25.0 111.983 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.96 102.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 102.735 -3.061 . . . . 25.0 102.735 167.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.91 -45.2 75.06 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 121.935 0.874 . . . . 25.0 111.073 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.43 136.44 8.47 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.975 -1.466 . . . . 25.0 108.185 -171.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' HA ' HG21 ' A' ' 66' ' ' VAL . 2.2 t -82.32 131.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.994 0.902 . . . . 50.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -86.33 -45.71 16.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.19 -0.914 . . . . 50.0 108.629 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -143.75 139.91 29.67 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.37 119.32 12.64 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.176 -2.157 . . . . 25.0 105.176 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.42 168.12 26.51 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.799 -173.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.42 164.81 25.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.505 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.21 137.44 47.58 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 171.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -127.56 137.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.8 -156.36 28.04 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.136 -1.986 . . . . 25.0 108.136 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.01 66.98 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.44 0.62 . . . . 25.0 109.73 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.78 137.11 10.31 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 105.352 -3.099 . . . . 25.0 105.352 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.13 134.66 60.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 106.93 -1.508 . . . . 50.0 106.93 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.73 132.66 46.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.823 -0.548 . . . . 25.0 110.425 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -107.47 113.82 27.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -102.64 117.06 33.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -119.62 110.74 17.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -104.87 130.14 53.07 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.135 -2.172 . . . . 25.0 105.135 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 49' ' ' VAL 0.347 0.9 OUTLIER -140.65 134.57 33.7 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.3 0 N-CA-C 121.757 3.984 . . . . 50.0 121.757 -165.469 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -90.21 137.37 32.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 112.961 -1.927 . . . . 25.0 106.95 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mp -114.37 156.76 23.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.75 172.03 43.54 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 104.538 -3.425 . . . . 25.0 104.538 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -109.7 142.49 40.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 104.331 -2.47 . . . . 25.0 104.331 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.8 p -99.89 142.77 30.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.765 -0.374 . . . . 25.0 111.401 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -73.44 -25.22 60.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.14 169.51 10.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.808 0.813 . . . . 25.0 111.865 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.599 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -132.73 178.05 7.16 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.007 -0.997 . . . . 25.0 110.834 -173.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -58.62 -25.17 62.39 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 116.213 1.931 . . . . 25.0 116.213 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.304 0.8 OUTLIER -108.41 -14.86 14.58 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 115.969 1.84 . . . . 25.0 115.969 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.599 ' HB2' ' H ' ' A' ' 74' ' ' THR . 88.4 mm-40 -81.75 153.59 70.34 Favored Pre-proline 0 C--N 1.298 -1.672 0 CA-C-N 111.505 -2.588 . . . . 25.0 107.859 176.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.55 173.91 13.69 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 121.663 1.575 . . . . 25.0 115.31 -173.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 57.67 49.81 11.83 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 173.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.0 -14.15 32.6 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.608 1.336 . . . . 50.0 114.608 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 -42.29 13.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.171 0.986 . . . . 25.0 109.604 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.99 -38.27 22.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.73 -57.72 20.5 Favored Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 119.697 -0.801 . . . . 25.0 110.929 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.39 -23.51 44.15 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 114.367 -3.289 . . . . 25.0 114.201 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.25 -37.16 86.15 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 118.187 0.449 . . . . 25.0 110.064 173.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -84.25 -30.07 25.97 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.68 -44.45 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.421 0.288 . . . . 25.0 110.816 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.51 -58.52 13.73 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.79 -12.34 32.64 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 114.962 -2.892 . . . . 25.0 115.327 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.15 -24.59 62.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.736 -0.602 . . . . 25.0 110.593 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.58 89.73 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.374 1.083 . . . . 50.0 112.597 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -74.02 -30.29 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.26 130.57 43.5 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -100.48 119.96 39.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.28 120.68 9.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.259 0.349 . . . . 25.0 110.924 -173.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -124.28 144.6 49.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.97 160.04 19.26 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.597 1.559 . . . . 25.0 108.747 170.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.8 m -129.84 120.54 25.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -114.24 132.12 56.25 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -125.24 109.03 12.33 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.1 mt -97.97 119.18 45.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -90.39 125.22 35.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 105.42 -2.067 . . . . 25.0 105.42 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.33 135.26 44.26 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 104.44 -2.43 . . . . 25.0 104.44 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -103.79 102.8 33.2 Favored Pre-proline 0 CA--C 1.491 -1.298 1 N-CA-C 97.055 -5.165 . . . . 50.0 97.055 -171.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.95 -24.98 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.035 1 C-N-CA 106.592 -8.472 . . . . 25.0 114.02 -172.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.29 -22.69 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.913 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -119.59 2.85 11.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.98 29.02 74.28 Favored Glycine 0 N--CA 1.465 0.599 0 CA-C-O 122.586 1.103 . . . . 25.0 112.21 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.01 167.38 15.4 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.147 -1.026 . . . . 25.0 108.275 -174.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.4 ptt? -148.23 157.57 43.57 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 170.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -149.7 143.84 25.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.079 0.551 . . . . 25.0 110.207 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.44 115.63 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.743 0.782 . . . . 50.0 109.79 175.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -92.22 -29.3 16.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.457 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.92 145.11 28.49 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.95 116.47 6.19 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.26 153.19 43.58 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 101.189 -3.634 . . . . 25.0 101.189 177.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -148.04 -179.57 7.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.886 0.85 . . . . 25.0 112.732 -177.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.77 160.28 15.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.063 -1.88 . . . . 25.0 111.193 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.66 149.6 46.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.284 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.018 -0.991 . . . . 25.0 112.185 -178.591 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.156 0 CA-C-O 119.339 -0.7 . . . . 25.0 111.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.89 151.14 86.54 Favored 'Trans proline' 0 C--N 1.346 0.4 0 CA-C-N 118.952 1.376 . . . . 25.0 110.718 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.56 138.67 47.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.22 148.78 29.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 171.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.68 159.31 31.12 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.562 -2.385 . . . . 25.0 104.562 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 p -82.67 160.17 22.48 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.9 -13.29 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.603 0.716 . . . . 50.0 110.489 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -86.54 -22.7 26.19 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.879 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.9 mp0 -55.01 138.49 43.74 Favored 'General case' 0 CA--C 1.457 -2.633 1 N-CA-C 121.915 4.043 . . . . 25.0 121.915 172.336 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.16 -41.74 84.46 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 112.038 -2.346 . . . . 25.0 110.818 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.14 75.47 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.687 -1.142 . . . . 25.0 112.472 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.28 -47.29 15.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 118.197 0.999 . . . . 50.0 109.462 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -53.93 -43.22 69.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 118.855 0.752 . . . . 25.0 112.593 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.22 68.55 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.848 -0.741 . . . . 25.0 112.652 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.38 -34.46 21.75 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.53 -62.66 1.69 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -68.62 -31.12 70.05 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 123.851 0.719 . . . . 25.0 109.796 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -45.3 84.59 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.268 1.2 t -76.68 -37.0 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.225 0 N-CA-C 105.551 -2.018 . . . . 50.0 105.551 -174.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.65 -36.74 93.69 Favored Glycine 0 C--O 1.207 -1.555 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.25 -28.26 25.49 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.407 1.099 . . . . 25.0 111.95 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -86.77 -62.91 1.4 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 116.166 1.913 . . . . 25.0 116.166 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.26 -52.07 6.52 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.848 -1.978 . . . . 25.0 112.199 -172.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.8 -30.89 67.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.97 -178.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.43 -32.08 66.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -78.36 152.9 32.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.437 -0.802 . . . . 25.0 110.43 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -90.03 56.72 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.687 0.756 . . . . 25.0 108.999 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.27 129.48 39.89 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.41 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.9 mmm -69.54 -15.69 63.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.193 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -126.45 163.24 23.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -79.7 112.56 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m -121.8 145.24 48.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.093 -1.818 . . . . 25.0 106.093 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -156.29 166.62 32.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.98 102.43 3.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.28 -48.35 67.96 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.92 0.867 . . . . 25.0 111.851 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.83 130.7 13.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.022 -1.445 . . . . 25.0 108.894 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -82.85 129.49 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.92 -41.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.467 -0.788 . . . . 50.0 109.032 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -144.9 142.78 30.17 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.12 112.46 6.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.03 168.78 24.14 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 121.785 0.803 . . . . 25.0 113.022 -176.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 134.68 40.33 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.637 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -98.57 122.06 41.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 105.569 -2.011 . . . . 25.0 105.569 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.04 141.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.56 -167.09 39.93 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 107.147 -2.381 . . . . 25.0 107.147 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -24.56 67.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.83 0.815 . . . . 25.0 109.49 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.95 138.4 11.7 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 103.458 -3.857 . . . . 25.0 103.458 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 132.31 58.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 107.49 -1.3 . . . . 50.0 107.49 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -126.65 126.23 43.22 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.861 -0.524 . . . . 25.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -93.25 130.73 38.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 104.035 -2.58 . . . . 25.0 104.035 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.0 m-85 -118.84 119.28 33.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.4 116.09 18.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 123.551 0.532 . . . . 25.0 109.664 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -112.24 140.52 46.87 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-O 123.435 1.588 . . . . 25.0 108.681 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.14 141.05 19.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 120.267 3.432 . . . . 50.0 120.267 -166.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -90.7 131.65 36.26 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.494 -1.684 . . . . 25.0 109.365 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -98.29 157.59 16.09 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.348 1.07 . . . . 25.0 110.927 177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.51 177.47 48.26 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 103.373 -3.891 . . . . 25.0 103.373 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -118.55 139.73 51.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -103.07 145.63 29.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.0 p -74.04 -23.82 59.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.379 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.88 167.33 10.59 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -93.77 164.86 12.96 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.133 1.444 . . . . 25.0 110.964 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -60.2 -26.62 66.51 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.398 -2.183 . . . . 25.0 115.193 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -103.17 -14.55 16.33 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 -178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.7 151.92 60.11 Favored Pre-proline 0 C--N 1.298 -1.639 0 CA-C-N 112.995 -1.911 . . . . 25.0 115.94 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.58 17.46 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.719 2.279 . . . . 25.0 112.807 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -108.32 8.54 27.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -173.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.13 -10.6 2.87 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 118.599 2.815 . . . . 50.0 118.599 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.6 -42.32 10.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 120.27 1.395 . . . . 25.0 112.07 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -87.92 -25.26 23.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.176 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.84 -59.69 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.386 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.81 -23.34 26.11 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.254 -3.364 . . . . 25.0 113.741 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.89 -36.49 77.07 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.426 0.557 . . . . 25.0 110.444 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -83.55 -42.67 16.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.596 0.712 . . . . 25.0 111.481 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.28 -41.13 77.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -172.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.39 -55.79 36.08 Favored Pre-proline 0 C--O 1.239 0.527 0 CA-C-N 119.327 0.967 . . . . 25.0 111.395 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.07 -19.8 34.18 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 114.022 -3.519 . . . . 25.0 114.858 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -71.46 -33.04 68.98 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.096 -0.377 . . . . 25.0 111.406 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 105.17 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.686 0.755 . . . . 50.0 112.506 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.14 -32.34 33.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -76.66 132.02 39.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 104.08 -2.563 . . . . 25.0 104.08 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -126.73 133.1 50.95 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.823 -2.288 . . . . 25.0 104.823 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.57 140.29 31.67 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -124.26 139.65 53.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.645 0.736 . . . . 25.0 112.245 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.2 m -112.79 159.24 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.993 -1.003 . . . . 25.0 111.171 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -129.68 115.31 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.151 -0.931 . . . . 25.0 108.721 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -109.04 134.13 52.07 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -130.38 113.66 14.61 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.7 mt -101.66 120.36 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -90.21 126.38 35.8 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.2 135.01 46.47 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.55 103.57 24.82 Favored Pre-proline 0 CA--C 1.491 -1.306 1 N-CA-C 97.314 -5.069 . . . . 50.0 97.314 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.44 -20.08 16.35 Favored 'Trans proline' 0 N--CA 1.451 -1.007 1 C-N-CA 106.488 -8.542 . . . . 25.0 115.016 -169.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.89 -28.34 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -115.38 -2.04 12.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.42 16.19 75.47 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 111.461 -0.656 . . . . 25.0 111.461 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -100.34 167.29 10.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.8 ptp -148.15 157.4 43.48 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 170.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -144.01 141.37 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.455 0.702 . . . . 25.0 110.102 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.67 115.74 6.16 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.946 -1.131 . . . . 50.0 107.946 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -90.94 -31.11 16.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.449 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -147.67 142.28 26.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 t -144.97 114.45 7.15 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 103.699 -2.704 . . . . 25.0 103.699 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -133.67 146.65 51.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.6 m -148.08 171.46 15.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 25.0 111.739 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -123.65 151.64 42.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -71.93 140.64 49.31 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.276 1.214 . . . . 25.0 114.276 -175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.566 -0.73 . . . . 25.0 109.591 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.375 0 N-CA-C 112.428 -0.269 . . . . 25.0 112.428 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.28 145.42 18.99 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 118.309 1.054 . . . . 25.0 114.673 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.2 ptp -148.85 137.11 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.76 141.19 31.59 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.31 153.15 30.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -75.28 156.15 35.94 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.58 -17.46 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.14 -27.79 62.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.959 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.283 1.0 OUTLIER -58.74 133.26 55.79 Favored 'General case' 0 CA--C 1.429 -3.675 0 N-CA-C 120.528 3.529 . . . . 25.0 120.528 176.615 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.15 -27.11 67.77 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 113.451 -1.704 . . . . 25.0 112.319 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.12 74.58 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.152 -0.779 . . . . 25.0 111.152 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.44 -48.15 15.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.255 0 CA-C-N 117.355 0.577 . . . . 50.0 110.064 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -53.19 -42.28 66.09 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.923 0.489 . . . . 25.0 111.982 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -26.97 68.31 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.48 -33.03 21.94 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.09 -62.9 1.43 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 108.135 -1.061 . . . . 50.0 108.135 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.58 -33.71 74.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.505 0.503 . . . . 25.0 111.124 -173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.49 -48.83 75.99 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.23 86.03 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.276 1.2 t -76.34 -36.55 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 105.891 -1.892 . . . . 50.0 105.891 -174.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.61 -35.75 92.45 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 107.962 -2.055 . . . . 25.0 107.962 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -85.22 -28.67 25.25 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.232 1.015 . . . . 25.0 111.924 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -86.73 -62.91 1.4 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -84.3 -52.55 6.13 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 112.269 -2.241 . . . . 25.0 112.182 -171.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -70.42 -30.71 67.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.992 -178.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.18 66.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -75.02 155.97 36.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.945 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.55 51.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.436 0.636 . . . . 25.0 109.953 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -66.13 131.14 45.5 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.465 0.65 . . . . 25.0 109.598 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.6 mmt -70.07 -19.58 63.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.577 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -112.43 163.64 14.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -102.17 143.06 32.45 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -144.27 155.0 43.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.292 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.83 102.35 5.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 101.394 -3.558 . . . . 25.0 101.394 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.78 -45.62 74.34 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -151.31 129.41 11.85 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.2 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.23 126.46 39.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.45 -47.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -146.97 145.09 29.64 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.24 115.08 9.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.09 167.98 26.74 Favored 'General case' 0 CA--C 1.487 -1.443 0 CA-C-O 121.972 0.891 . . . . 25.0 112.58 -171.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.09 153.88 50.44 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 113.84 -1.527 . . . . 25.0 109.174 -175.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.71 119.0 26.81 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 105.365 -2.087 . . . . 25.0 105.365 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.1 mt -105.71 132.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 25.0 110.338 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.56 -154.91 9.52 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 106.808 -2.517 . . . . 25.0 106.808 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.17 70.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.877 0.839 . . . . 25.0 109.072 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.68 155.54 16.1 Favored Glycine 0 N--CA 1.446 -0.646 1 N-CA-C 102.773 -4.131 . . . . 25.0 102.773 173.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.87 134.33 64.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -127.34 129.36 47.48 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.093 -0.379 . . . . 25.0 110.857 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -104.72 135.05 46.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.82 124.76 49.16 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.32 116.03 19.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -114.19 135.28 54.22 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 123.244 1.497 . . . . 25.0 109.14 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.3 141.7 19.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 N-CA-C 121.264 3.801 . . . . 50.0 121.264 -165.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -90.36 130.87 36.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.367 -1.742 . . . . 25.0 108.931 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.33 152.29 21.73 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.356 1.074 . . . . 25.0 112.085 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.76 169.59 42.56 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 104.388 -3.485 . . . . 25.0 104.388 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -112.98 139.31 48.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -112.74 148.68 34.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.011 0.434 . . . . 25.0 111.197 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -71.98 -29.24 64.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.858 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.77 165.68 11.08 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 p -105.54 174.83 5.71 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.937 -1.483 . . . . 25.0 108.119 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -60.32 -24.4 64.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.288 0.8 OUTLIER -104.79 -14.36 15.56 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 118.661 2.837 . . . . 25.0 118.661 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.44 147.5 48.81 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 112.508 -2.133 . . . . 25.0 113.04 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.6 28.38 0.41 Allowed 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.692 2.928 . . . . 25.0 113.808 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -129.82 9.99 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -172.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.82 -14.79 1.54 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 120.893 3.664 . . . . 50.0 120.893 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -42.27 10.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 120.806 1.639 . . . . 25.0 111.188 175.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -84.4 -30.59 25.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.199 -0.909 . . . . 25.0 112.318 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -60.71 9.7 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.536 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -70.54 -24.17 26.41 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 114.678 -3.082 . . . . 25.0 113.972 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.61 -37.19 77.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.374 0.534 . . . . 25.0 110.494 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -83.63 -43.14 15.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.348 0.594 . . . . 25.0 111.633 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.58 -44.45 74.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -57.57 -50.94 85.31 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 119.053 0.842 . . . . 25.0 112.601 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.08 -18.15 27.62 Favored 'Trans proline' 0 CA--C 1.541 0.852 1 C-N-CA 113.13 -4.113 . . . . 25.0 114.67 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -68.58 -28.19 66.72 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.608 -0.682 . . . . 25.0 110.197 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.57 80.36 1.08 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.929 0.871 . . . . 50.0 109.444 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -33.52 65.99 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -89.3 133.87 34.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 101.482 -3.525 . . . . 25.0 101.482 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.02 142.21 51.6 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.14 143.22 49.68 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.25 134.22 53.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.654 0.74 . . . . 25.0 109.114 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.45 158.04 28.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.523 -1.217 . . . . 25.0 110.058 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -129.78 131.03 46.09 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -118.96 132.44 56.08 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -123.27 112.56 17.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.318 -0.855 . . . . 25.0 108.8 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.69 118.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -90.3 127.86 36.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.275 -2.12 . . . . 25.0 105.275 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -105.63 134.44 48.74 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.64 103.05 29.97 Favored Pre-proline 0 C--N 1.309 -1.155 1 N-CA-C 96.547 -5.353 . . . . 50.0 96.547 -171.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.21 -23.05 13.83 Favored 'Trans proline' 0 N--CA 1.452 -0.913 1 C-N-CA 106.711 -8.393 . . . . 25.0 114.743 -168.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -62.63 -21.22 65.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 25.0 113.942 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.07 -4.47 12.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.693 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.52 75.63 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -105.34 167.08 9.97 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.417 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.9 ptp -148.13 157.69 43.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.7 m -142.78 140.74 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.105 0.562 . . . . 25.0 110.21 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -66.2 112.79 4.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 107.715 -1.217 . . . . 50.0 107.715 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 t -84.41 -32.05 24.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.359 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -154.36 142.85 20.67 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.188 0.518 . . . . 25.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 p -133.36 127.45 33.53 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 101.891 -3.374 . . . . 25.0 101.891 170.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -138.0 145.09 41.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 104.123 -2.547 . . . . 25.0 104.123 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.04 172.89 13.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -129.52 154.0 47.45 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.38 145.84 26.71 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.461 -1.257 . . . . 25.0 108.282 178.146 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 N-CA-C 114.379 0.512 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -73.68 145.56 37.19 Favored 'Trans proline' 0 C--N 1.343 0.268 0 CA-C-N 119.197 1.498 . . . . 25.0 115.676 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.91 146.83 28.07 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.5 149.63 23.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.04 158.59 38.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.823 -1.917 . . . . 25.0 105.823 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -78.7 161.88 26.58 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.61 -15.82 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.251 0.548 . . . . 50.0 111.0 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.7 -25.91 37.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.867 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 2.5 mp0 -50.3 135.99 20.76 Favored 'General case' 0 CA--C 1.452 -2.82 1 N-CA-C 122.514 4.264 . . . . 25.0 122.514 173.157 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -59.88 -35.11 74.14 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 112.491 -2.141 . . . . 25.0 110.607 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -24.3 76.87 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.25 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.2 t -88.42 -47.91 15.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-N 118.083 0.942 . . . . 50.0 110.697 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -54.15 -38.58 65.65 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -28.43 69.61 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 119.382 -0.927 . . . . 25.0 111.952 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.75 20.03 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 mt -55.97 -62.94 1.36 Allowed 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 109.088 -0.708 . . . . 50.0 109.088 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.5 -31.96 70.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.922 0.764 . . . . 25.0 110.274 -170.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.85 -47.75 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.81 88.52 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.292 1.0 OUTLIER -73.2 -39.31 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 105.017 -2.216 . . . . 50.0 105.017 -173.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.2 -37.4 94.46 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 108.6 -1.8 . . . . 25.0 108.6 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -85.41 -29.43 24.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 122.131 0.967 . . . . 25.0 112.05 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -87.09 -62.86 1.41 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 123.791 1.757 . . . . 25.0 115.623 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -84.33 -51.74 6.74 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.206 -2.27 . . . . 25.0 112.106 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -71.41 -30.66 66.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.059 -0.518 . . . . 25.0 109.714 -178.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 -32.14 67.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -79.47 155.15 28.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.846 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -101.32 51.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.436 0.636 . . . . 25.0 110.284 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.21 126.6 29.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.33 -0.618 . . . . 25.0 109.33 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.66 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.637 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -99.36 148.92 23.68 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.56 112.5 23.1 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.139 -1.424 . . . . 25.0 113.085 -171.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -95.58 147.66 23.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 104.62 -2.363 . . . . 25.0 104.62 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -158.9 165.62 33.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 102.59 5.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.186 -2.894 . . . . 25.0 103.186 171.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.07 -43.53 34.02 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.829 0.824 . . . . 25.0 111.737 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -151.09 125.58 9.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.481 -1.236 . . . . 25.0 108.533 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.12 131.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.05 -43.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.611 -0.722 . . . . 50.0 109.055 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.73 139.99 33.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.02 109.98 6.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.57 168.81 24.34 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 121.251 0.548 . . . . 25.0 112.476 -177.566 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.19 151.71 35.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.518 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.2 tt0 -99.08 129.55 45.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.5 mm -101.2 138.3 25.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.359 -1.719 . . . . 25.0 106.359 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.83 -164.75 34.87 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 110.355 -1.098 . . . . 25.0 110.355 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.37 66.59 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.239 0.542 . . . . 25.0 109.959 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.86 11.16 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 104.379 -3.489 . . . . 25.0 104.379 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.06 114.98 47.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 118.032 0.916 . . . . 50.0 108.838 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.33 118.81 36.87 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.098 -0.376 . . . . 25.0 110.027 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -91.62 133.54 35.46 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.431 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 94.1 m-85 -123.34 117.6 25.62 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.11 116.05 17.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.886 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -111.98 139.26 47.63 Favored 'General case' 0 CA--C 1.48 -1.733 0 CA-C-O 123.411 1.577 . . . . 25.0 108.753 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 49' ' ' VAL 0.338 0.9 OUTLIER -141.69 133.44 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 N-CA-C 120.637 3.569 . . . . 50.0 120.637 -168.277 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.54 135.93 33.39 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 112.858 -1.974 . . . . 25.0 107.782 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.77 143.54 45.24 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.23 165.34 30.79 Favored Glycine 0 N--CA 1.439 -1.136 1 N-CA-C 102.965 -4.054 . . . . 25.0 102.965 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -125.78 133.08 52.15 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -88.64 142.88 27.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.3 p -75.82 -17.81 59.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.494 0.664 . . . . 25.0 109.562 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.7 m -99.98 160.54 14.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.584 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -131.1 178.26 6.83 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.379 -172.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.35 -27.33 62.16 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.096 1.887 . . . . 25.0 116.096 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.307 0.8 OUTLIER -107.17 -15.35 14.69 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 116.17 1.915 . . . . 25.0 116.17 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.584 ' HB2' ' H ' ' A' ' 74' ' ' THR . 89.2 mm-40 -83.21 153.56 66.2 Favored Pre-proline 0 C--N 1.298 -1.661 0 CA-C-N 111.466 -2.606 . . . . 25.0 108.718 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.93 177.23 9.0 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 121.571 1.514 . . . . 25.0 114.875 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 61.79 41.9 11.22 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.63 -14.64 45.56 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.461 0.912 . . . . 50.0 113.461 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -42.13 15.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 122.336 1.065 . . . . 25.0 109.525 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -86.9 -35.52 18.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.5 m -63.88 -58.97 12.61 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.607 -0.837 . . . . 25.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -65.31 -26.12 56.38 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.596 -3.136 . . . . 25.0 114.771 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.78 -40.05 82.84 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.539 0.609 . . . . 25.0 110.282 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -84.49 -30.05 25.51 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.33 -36.17 82.23 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.709 -0.619 . . . . 25.0 112.136 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.59 -55.26 44.17 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -21.72 58.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 114.649 -3.101 . . . . 25.0 114.443 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -70.23 -15.24 62.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 111.197 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.29 63.6 1.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.309 0.576 . . . . 50.0 110.716 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -68.49 -32.04 71.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 104.917 -2.253 . . . . 25.0 104.917 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -84.24 105.81 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.085 -2.191 . . . . 25.0 105.085 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.86 136.59 34.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.14 124.07 14.33 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -124.33 141.79 51.79 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 95.1 m -98.74 160.13 14.48 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 125.334 1.454 . . . . 25.0 108.282 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -129.71 124.25 33.09 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -117.28 127.13 53.77 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.51 117.46 19.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mt -109.48 124.95 66.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -93.22 124.2 37.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.92 133.66 45.07 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 103.156 -2.905 . . . . 25.0 103.156 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -102.25 103.24 29.43 Favored Pre-proline 0 N--CA 1.436 -1.139 1 N-CA-C 95.47 -5.752 . . . . 50.0 95.47 -173.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.21 -24.03 12.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.52 -8.52 . . . . 25.0 114.417 -170.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -59.58 -28.93 67.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.589 -1.187 . . . . 25.0 113.474 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -108.34 -5.48 16.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.798 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.37 17.24 79.72 Favored Glycine 0 C--O 1.228 -0.268 0 CA-C-O 122.117 0.843 . . . . 25.0 111.452 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -109.91 167.36 10.22 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.467 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 33.3 mtt -148.11 157.45 43.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.1 m -142.0 137.63 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.011 0.524 . . . . 25.0 109.75 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.97 102.31 1.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -79.7 -30.65 41.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -146.13 132.16 19.27 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.06 0.457 . . . . 25.0 111.457 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 117.07 17.88 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 171.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.18 154.24 50.81 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.392 -2.447 . . . . 25.0 104.392 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.6 179.74 6.64 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.607 0.718 . . . . 25.0 111.495 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.53 160.09 15.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -170.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.39 151.63 44.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.452 -1.684 . . . . 25.0 106.452 170.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 117.95 -1.024 . . . . 25.0 109.858 178.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.623 0 N-CA-C 110.662 -0.975 . . . . 25.0 110.662 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.4 143.81 15.71 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 117.149 -1.434 . . . . 25.0 113.057 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -148.91 150.25 32.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.97 147.54 22.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 150.69 43.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 103.122 -2.918 . . . . 25.0 103.122 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.442 ' HG ' ' CD ' ' A' ' 20' ' ' GLU . 55.0 p -78.99 158.34 27.96 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.962 -0.563 . . . . 25.0 109.652 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.87 -15.42 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.511 0.672 . . . . 50.0 110.463 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -82.54 -25.98 32.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.006 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' HG ' ' A' ' 17' ' ' SER 0.301 2.6 mp0 -53.43 132.14 39.22 Favored 'General case' 0 CA--C 1.432 -3.57 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 171.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.39 -24.89 63.93 Favored 'General case' 0 N--CA 1.406 -2.666 0 C-N-CA 117.352 -1.739 . . . . 25.0 111.075 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.7 -23.25 73.93 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.771 -0.932 . . . . 25.0 110.771 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -88.58 -44.64 15.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -53.3 -42.85 67.03 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.53 69.37 Favored 'General case' 0 C--O 1.198 -1.616 0 C-N-CA 119.84 -0.744 . . . . 25.0 112.831 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.49 -32.71 22.09 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.91 -62.77 1.57 Allowed 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.23 -33.43 75.34 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.915 0.759 . . . . 25.0 110.477 -173.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.62 -49.66 74.34 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.47 76.58 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -75.9 -36.67 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.951 -1.87 . . . . 50.0 105.951 -173.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.93 -38.54 95.6 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 108.027 -2.029 . . . . 25.0 108.027 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -85.48 -26.79 26.08 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-O 122.818 1.294 . . . . 25.0 113.587 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -87.11 -62.95 1.39 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 116.413 2.005 . . . . 25.0 116.413 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -83.67 -53.48 5.61 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 112.726 -2.034 . . . . 25.0 112.961 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -31.82 71.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.957 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -74.86 153.28 38.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.754 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -87.03 55.03 3.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.586 0.708 . . . . 25.0 110.195 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -67.03 129.36 39.65 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.856 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mtp -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.08 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -123.7 164.08 19.83 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.94 112.91 21.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 m -117.94 142.83 46.92 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.1 159.55 44.33 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.899 -0.321 . . . . 25.0 110.998 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 102.13 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 169.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.74 -49.56 45.6 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.756 0.789 . . . . 25.0 110.829 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -148.07 129.86 15.16 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 113.943 -1.481 . . . . 25.0 107.949 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.484 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -83.34 129.42 37.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.586 -1.264 . . . . 50.0 107.586 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -87.05 -44.02 16.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.058 -1.09 . . . . 50.0 108.058 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -142.99 140.62 31.1 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 117.86 12.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 106.884 -1.524 . . . . 25.0 106.884 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 167.77 27.8 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-O 121.596 0.712 . . . . 25.0 112.145 -172.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.73 143.06 33.33 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.649 -1.159 . . . . 25.0 110.324 -174.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -113.99 115.91 28.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.51 -2.404 . . . . 25.0 104.51 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.19 134.56 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.97 -160.19 25.62 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 108.58 -1.808 . . . . 25.0 108.58 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.79 68.61 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 117.687 0.744 . . . . 25.0 109.996 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.59 145.78 17.0 Favored Glycine 0 N--CA 1.448 -0.505 1 N-CA-C 101.119 -4.792 . . . . 25.0 101.119 172.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 83.5 t -121.6 132.68 70.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 CA-C-N 118.66 1.23 . . . . 50.0 108.075 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -125.88 136.24 52.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -105.66 137.42 43.54 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 104.251 -2.5 . . . . 25.0 104.251 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.1 132.14 53.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.942 -2.244 . . . . 25.0 104.942 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -138.14 116.97 12.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -114.72 135.56 54.03 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 123.488 1.614 . . . . 25.0 108.508 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.66 141.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 120.869 3.655 . . . . 50.0 120.869 -164.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.02 136.58 33.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.498 -1.683 . . . . 25.0 108.599 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.57 149.46 32.71 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.124 0.964 . . . . 25.0 113.134 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.99 161.02 34.39 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 103.872 -3.691 . . . . 25.0 103.872 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -95.06 139.63 31.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 p -94.64 143.02 26.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -174.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.3 p -75.22 -17.75 60.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.96 154.89 18.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.617 0.723 . . . . 25.0 111.859 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.48 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 21.4 p -95.77 173.42 7.47 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 174.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -62.75 -17.0 60.2 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 115.659 1.725 . . . . 25.0 115.659 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.25 -14.29 13.84 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 119.013 2.968 . . . . 25.0 119.013 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.48 ' HG3' ' H ' ' A' ' 74' ' ' THR . 18.5 mm-40 -53.78 146.86 25.14 Favored Pre-proline 0 C--N 1.295 -1.79 0 CA-C-N 112.251 -2.25 . . . . 25.0 113.354 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.88 0.66 9.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 121.389 1.393 . . . . 25.0 115.519 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -123.2 40.0 3.82 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.987 1.477 . . . . 25.0 114.987 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.37 -14.19 25.58 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.916 1.821 . . . . 50.0 115.916 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -84.26 -42.23 16.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.051 0.929 . . . . 25.0 109.392 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -78.87 -39.02 36.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.54 -61.13 8.58 Favored Pre-proline 0 C--O 1.215 -0.737 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -67.34 -21.37 47.5 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 114.642 -3.105 . . . . 25.0 114.431 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.52 -38.27 90.43 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -83.55 -33.21 25.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.85 -42.66 99.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.916 0.486 . . . . 25.0 111.611 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.82 -56.18 38.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.45 -17.18 34.6 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 114.707 -3.062 . . . . 25.0 114.532 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.56 -29.09 69.07 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.6 85.59 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.291 0.567 . . . . 50.0 112.336 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -76.91 -32.73 57.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 173.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -95.22 136.02 36.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 101.515 -3.513 . . . . 25.0 101.515 171.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -127.12 148.37 50.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.93 136.79 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -124.24 138.35 54.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 40.2 m -104.58 159.77 15.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.664 -1.153 . . . . 25.0 111.367 172.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 m -129.82 118.14 21.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.62 136.68 51.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -130.34 118.01 20.62 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.4 mt -107.2 120.31 58.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -90.44 123.17 33.94 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.473 -2.047 . . . . 25.0 105.473 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.71 133.61 44.92 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.537 -2.394 . . . . 25.0 104.537 178.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.89 103.09 31.33 Favored Pre-proline 0 CA--C 1.49 -1.363 1 N-CA-C 97.78 -4.896 . . . . 50.0 97.78 -171.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.41 -19.11 17.32 Favored 'Trans proline' 0 N--CA 1.45 -1.037 1 C-N-CA 106.571 -8.486 . . . . 25.0 114.716 -170.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.05 -29.03 59.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -117.22 -1.99 11.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.07 78.74 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-O 122.232 0.906 . . . . 25.0 111.365 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 p -101.63 167.25 10.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.109 0.964 . . . . 25.0 109.32 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.436 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.08 157.6 43.6 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 169.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 m -143.7 139.54 29.56 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.331 0.653 . . . . 25.0 109.461 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.4 114.21 4.65 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 108.655 -0.868 . . . . 50.0 108.655 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -88.83 -27.77 20.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.543 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -152.15 138.1 18.11 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.83 107.97 5.48 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.746 -2.316 . . . . 25.0 104.746 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -130.92 148.83 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 2.4 t -155.59 178.24 10.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -116.58 150.88 37.31 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -66.56 137.15 56.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.643 0.201 . . . . 25.0 110.912 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.479 0 CA-C-O 117.583 -1.199 . . . . 25.0 110.32 -175.56 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.469 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -79.7 146.95 19.21 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 CA-C-N 119.443 1.622 . . . . 25.0 115.309 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ptm -148.91 139.98 23.03 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 140.97 31.69 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 173.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.32 163.84 15.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -69.32 144.73 53.43 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -68.65 -16.65 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.61 1.095 . . . . 50.0 109.013 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.05 -5.91 56.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.23 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.07 140.76 56.64 Favored 'General case' 0 CA--C 1.426 -3.809 0 N-CA-C 116.709 2.114 . . . . 25.0 116.709 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -70.3 -29.47 66.23 Favored 'General case' 0 N--CA 1.4 -2.927 0 C-N-CA 116.749 -1.981 . . . . 25.0 111.553 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.52 -24.93 73.91 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 110.122 -1.191 . . . . 25.0 110.122 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 -47.79 16.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 CA-C-N 117.466 0.633 . . . . 50.0 110.617 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -48.36 -48.51 36.5 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.645 0.657 . . . . 25.0 112.542 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -28.35 69.64 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 112.883 0.698 . . . . 25.0 112.883 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.56 -34.13 21.56 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.62 -56.19 22.48 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.5 -30.75 63.32 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.505 0.503 . . . . 25.0 110.04 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.61 -48.1 78.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.42 -47.87 66.07 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.271 1.1 t -74.65 -37.8 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 106.876 -1.528 . . . . 50.0 106.876 -174.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.0 -35.75 92.53 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 108.143 -1.983 . . . . 25.0 108.143 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -85.52 -28.62 24.82 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.607 1.194 . . . . 25.0 111.752 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.82 -62.98 1.38 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 116.117 1.895 . . . . 25.0 116.117 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -84.22 -52.54 6.16 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 112.83 -1.986 . . . . 25.0 111.579 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -71.08 -28.91 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.668 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.9 -32.01 65.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -76.78 159.28 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -63.54 126.1 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.093 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.3 101.43 6.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -92.64 -35.18 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.528 0.68 . . . . 25.0 110.19 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -147.29 136.73 22.68 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.885 -3.006 . . . . 25.0 102.885 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 112.56 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.895 0.747 . . . . 25.0 109.941 -177.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -130.23 136.38 49.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -150.98 164.37 36.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.088 -0.383 . . . . 25.0 111.974 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.45 102.29 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.01 -47.81 27.23 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 122.174 0.988 . . . . 25.0 111.388 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -140.04 121.57 15.17 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 113.968 -1.469 . . . . 25.0 109.1 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.98 128.57 38.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.1 t -87.32 -44.1 15.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -144.66 146.61 32.34 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.96 115.84 8.77 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -148.37 162.42 39.59 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-O 121.503 0.668 . . . . 25.0 110.471 -173.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -131.77 164.87 25.06 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.801 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -131.05 118.56 20.74 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.461 -2.052 . . . . 25.0 105.461 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.02 131.23 53.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.615 -0.513 . . . . 25.0 109.615 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -157.98 17.31 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 106.759 -2.536 . . . . 25.0 106.759 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.6 -25.41 68.22 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.896 0.848 . . . . 25.0 110.038 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.16 154.06 16.82 Favored Glycine 0 N--CA 1.449 -0.493 1 N-CA-C 102.683 -4.167 . . . . 25.0 102.683 174.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.07 133.58 67.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 CA-C-N 118.602 1.201 . . . . 50.0 108.421 -176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -121.72 139.31 53.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -111.75 115.96 29.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.155 -1.795 . . . . 25.0 106.155 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.407 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.1 m-85 -106.78 120.93 43.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.29 132.01 54.55 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.72 131.01 56.13 Favored 'General case' 0 CA--C 1.482 -1.655 0 CA-C-O 123.754 1.74 . . . . 25.0 106.396 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.12 138.38 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 N-CA-C 121.424 3.861 . . . . 50.0 121.424 -166.207 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -94.59 119.0 32.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.339 -2.209 . . . . 25.0 105.905 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.95 140.94 29.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.942 -1.027 . . . . 25.0 108.649 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.74 179.16 27.69 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.852 -1.699 . . . . 25.0 108.852 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -132.03 163.46 28.37 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.329 0.252 . . . . 25.0 110.57 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -119.86 142.87 48.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 p -82.75 -20.09 36.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 25.0 110.444 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.39 160.31 14.44 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.989 0.899 . . . . 25.0 111.702 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -105.82 177.07 4.96 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.975 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.28 -22.97 63.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.266 0.8 OUTLIER -107.33 -14.41 14.89 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 117.558 2.429 . . . . 25.0 117.558 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -60.17 153.58 56.39 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 111.988 -2.369 . . . . 25.0 111.648 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.83 165.35 32.46 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 N-CA-C 113.492 0.535 . . . . 25.0 113.492 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.92 62.43 2.24 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.579 2.066 . . . . 25.0 116.579 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.87 -10.79 6.14 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.506 0.928 . . . . 50.0 113.506 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -42.34 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.382 1.087 . . . . 25.0 110.7 177.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.89 -39.31 14.89 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.26 -54.12 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 119.769 -0.773 . . . . 25.0 111.015 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.21 -23.02 29.2 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 113.892 -3.605 . . . . 25.0 114.21 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.9 -38.36 82.06 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 118.785 0.72 . . . . 25.0 109.442 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -84.64 -20.16 31.77 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.7 -37.85 70.64 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.962 -0.462 . . . . 25.0 110.453 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.44 -54.79 47.1 Favored Pre-proline 0 N--CA 1.469 0.52 0 O-C-N 121.406 -0.809 . . . . 25.0 113.085 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -71.15 -11.44 28.93 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 115.391 -2.606 . . . . 25.0 114.268 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -73.78 -32.15 63.65 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.68 77.87 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.57 0.7 . . . . 50.0 109.723 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -13.62 59.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.525 0.678 . . . . 25.0 110.102 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -125.19 125.86 44.31 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 100.953 -3.721 . . . . 25.0 100.953 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -122.89 139.93 53.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 103.586 -2.746 . . . . 25.0 103.586 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.55 145.09 29.94 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.434 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 50.2 p90 -117.56 133.16 56.26 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -130.47 160.13 35.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.107 -1.406 . . . . 25.0 111.264 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -128.12 128.84 45.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -124.44 119.57 29.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.221 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -112.38 112.65 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.11 122.91 52.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 105.892 -1.892 . . . . 25.0 105.892 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -90.23 125.07 35.36 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 104.914 -2.254 . . . . 25.0 104.914 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.85 132.87 48.74 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 104.409 -2.441 . . . . 25.0 104.409 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.9 103.25 27.88 Favored Pre-proline 0 N--CA 1.434 -1.25 1 N-CA-C 97.258 -5.09 . . . . 50.0 97.258 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.4 -21.78 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.929 1 C-N-CA 106.464 -8.557 . . . . 25.0 115.108 -168.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -59.26 -32.08 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.262 -0.881 . . . . 25.0 112.71 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -107.68 -2.53 20.06 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.369 -0.207 . . . . 25.0 111.377 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.93 75.8 Favored Glycine 0 N--CA 1.459 0.205 0 CA-C-O 122.081 0.823 . . . . 25.0 111.714 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -101.76 167.48 10.06 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 12.5 ptm -148.21 157.47 43.51 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 170.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -149.22 140.69 23.34 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.217 0.607 . . . . 25.0 110.354 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.44 112.88 3.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.48 0.657 . . . . 50.0 110.155 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -88.7 -32.46 17.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.881 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -144.96 131.78 20.13 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.129 0.49 . . . . 25.0 110.03 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.57 118.78 18.65 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.195 -2.52 . . . . 25.0 104.195 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -135.3 148.39 49.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.52 172.52 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 5.7 mm-40 -118.05 160.18 21.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.959 -1.473 . . . . 25.0 109.093 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.79 151.64 41.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.315 0.646 . . . . 25.0 112.13 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 N-CA-C 103.816 -2.661 . . . . 25.0 103.816 174.395 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.211 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.66 152.31 69.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 116.949 -1.567 . . . . 25.0 111.599 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.1 ptm -138.96 142.59 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.24 147.4 28.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 174.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 155.76 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -74.73 153.96 38.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m -65.5 -21.52 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.323 0.582 . . . . 50.0 109.523 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.3 -23.77 54.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.259 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.269 1.2 mp0 -52.45 134.74 34.53 Favored 'General case' 0 CA--C 1.428 -3.738 0 N-CA-C 118.446 2.758 . . . . 25.0 118.446 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -70.69 -24.18 62.62 Favored 'General case' 0 N--CA 1.403 -2.821 0 C-N-CA 116.686 -2.006 . . . . 25.0 111.897 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.77 -25.39 73.0 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.123 -1.191 . . . . 25.0 110.123 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -88.48 -47.01 15.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 117.44 0.62 . . . . 50.0 109.558 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -50.91 -46.02 60.59 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -25.37 68.15 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -36.5 20.32 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -62.1 2.02 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.32 -27.99 62.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.988 -170.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.33 -45.49 69.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.98 71.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.276 1.1 t -72.22 -39.7 64.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.117 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 -175.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -61.77 -37.86 94.99 Favored Glycine 0 C--O 1.205 -1.682 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.3 -28.0 25.57 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.429 1.109 . . . . 25.0 111.952 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -86.5 -63.01 1.38 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 123.856 1.789 . . . . 25.0 115.521 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -84.49 -51.61 6.78 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.216 -2.265 . . . . 25.0 112.682 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.53 -31.36 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.748 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.91 -32.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -77.27 152.07 34.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.832 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.67 53.73 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.616 0.722 . . . . 25.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -66.48 128.5 36.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.735 -0.666 . . . . 25.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.2 mtm -70.22 -19.45 63.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.631 -0.713 . . . . 25.0 110.774 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -116.78 164.67 14.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 177.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -109.38 137.31 47.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.17 160.01 41.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.446 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 102.24 1.63 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.5 -2.407 . . . . 25.0 104.5 170.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -48.1 56.67 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.958 0.885 . . . . 25.0 111.953 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -148.86 128.72 13.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.125 -1.398 . . . . 25.0 108.674 -171.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -81.78 131.09 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 t -91.91 -42.0 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 50.0 109.233 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -144.56 143.66 30.92 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.88 5.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 25.0 109.522 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -151.5 168.86 23.56 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.828 0.823 . . . . 25.0 113.204 -175.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 139.25 50.29 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.089 -1.414 . . . . 25.0 111.627 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -98.82 130.31 45.25 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.8 mt -98.94 138.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.765 -1.569 . . . . 25.0 106.765 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.05 -159.46 32.01 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 109.611 -1.395 . . . . 25.0 109.611 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.21 -1.21 16.82 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.835 0.826 . . . . 25.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -152.84 158.77 28.08 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 101.612 -4.595 . . . . 25.0 101.612 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.4 t -122.06 124.59 71.56 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 118.581 1.19 . . . . 50.0 109.025 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -110.61 124.0 51.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.099 0.476 . . . . 25.0 109.798 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -92.03 111.25 22.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.407 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 74.4 m-85 -98.54 117.01 32.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -128.5 114.31 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.493 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -109.28 138.64 45.32 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 123.219 1.485 . . . . 25.0 108.196 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -150.23 141.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 120.644 3.572 . . . . 50.0 120.644 -166.004 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -90.36 132.8 35.39 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.328 -1.76 . . . . 25.0 108.051 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.49 146.42 37.29 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.284 1.04 . . . . 25.0 111.064 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.94 158.16 29.44 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 105.527 -3.029 . . . . 25.0 105.527 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -87.71 128.5 35.3 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 105.045 -2.206 . . . . 25.0 105.045 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 p -92.51 149.98 21.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.384 0.611 . . . . 25.0 111.765 -175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 p -76.74 -12.94 60.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.706 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.76 144.86 28.34 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.766 0.793 . . . . 25.0 109.017 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 17.8 p -90.69 175.71 6.93 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -62.67 -17.96 61.52 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -110.49 -14.74 14.04 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 118.951 2.945 . . . . 25.0 118.951 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.4 mm100 -53.12 147.5 17.19 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 112.495 -2.139 . . . . 25.0 114.425 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -83.74 10.23 3.77 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.112 1.875 . . . . 25.0 116.199 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -127.14 35.36 4.59 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.0 -10.56 6.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 117.87 2.544 . . . . 50.0 117.87 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -42.26 13.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.71 1.141 . . . . 25.0 109.644 173.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -38.25 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.959 -1.019 . . . . 25.0 113.324 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -59.07 -60.1 11.65 Favored Pre-proline 0 C--O 1.215 -0.749 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.942 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.26 -23.18 52.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 114.749 -3.034 . . . . 25.0 113.77 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.44 -50.44 73.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -84.71 -19.51 32.64 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -69.69 -34.74 74.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.231 -0.918 . . . . 25.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -57.26 -58.12 20.16 Favored Pre-proline 0 N--CA 1.47 0.566 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -66.82 -25.86 45.34 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 114.536 -3.176 . . . . 25.0 114.647 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -82.47 4.57 23.76 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HB2' ' HZ2' ' A' ' 94' ' ' LYS . 1.1 mt -76.76 91.89 3.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.868 -0.789 . . . . 50.0 108.868 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -14.02 54.54 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.628 -0.715 . . . . 25.0 110.832 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -138.18 133.46 33.32 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.537 ' HZ2' ' HB2' ' A' ' 91' ' ' LEU . 5.8 mptp? -105.51 138.49 41.62 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -119.8 135.39 54.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.419 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 40.2 p90 -124.0 140.08 53.33 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 177.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.88 160.14 32.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.993 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.4 m -129.78 122.25 28.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -115.71 135.46 54.02 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.75 109.24 10.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.6 mt -100.41 120.39 49.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.56 121.95 32.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.23 135.79 41.12 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.25 -2.5 . . . . 25.0 104.25 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -100.82 103.28 23.64 Favored Pre-proline 0 C--O 1.252 1.212 1 N-CA-C 96.215 -5.476 . . . . 50.0 96.215 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.16 -21.43 15.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 106.672 -8.418 . . . . 25.0 114.299 -169.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -62.27 -18.63 61.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.367 1.247 . . . . 25.0 114.367 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -121.75 -2.5 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.54 14.96 75.14 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-O 121.914 0.73 . . . . 25.0 111.844 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -102.52 167.21 10.08 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.901 0.88 . . . . 25.0 108.877 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.431 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.3 ptt? -148.34 157.5 43.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 170.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -143.61 139.94 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.295 0.638 . . . . 25.0 109.999 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.1 114.97 5.64 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -89.83 -31.33 17.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.306 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.1 140.66 24.5 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 p -143.44 110.61 5.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.709 -2.33 . . . . 25.0 104.709 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -127.11 147.65 50.17 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.718 -1.956 . . . . 25.0 105.718 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.75 169.22 20.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 9.3 mm100 -115.93 158.2 23.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.646 -1.161 . . . . 25.0 108.64 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.42 151.52 23.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.742 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.432 0 N-CA-C 109.686 -1.365 . . . . 25.0 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 85.8 Cg_endo -74.41 145.03 33.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 CA-C-N 119.186 1.493 . . . . 25.0 112.932 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ptm -148.65 155.57 41.23 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.12 143.85 26.89 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.66 158.3 25.77 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 107.496 -1.298 . . . . 25.0 107.496 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 155.93 39.52 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.85 -20.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.393 0.616 . . . . 50.0 109.81 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -70.77 -25.66 62.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.358 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.276 0.6 OUTLIER -55.21 137.45 47.15 Favored 'General case' 0 CA--C 1.448 -2.974 1 N-CA-C 122.34 4.2 . . . . 25.0 122.34 176.964 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.86 -34.44 74.6 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 112.475 -2.148 . . . . 25.0 112.206 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.73 77.74 Favored Glycine 0 C--O 1.222 -0.596 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.144 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -88.39 -54.55 7.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 CA-C-O 118.818 -0.61 . . . . 50.0 111.922 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtm105 -50.7 -44.87 58.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -28.7 68.4 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -35.49 21.1 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.57 -58.93 5.78 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -66.04 -33.59 76.14 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -65.42 -47.96 74.43 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.8 79.21 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -77.22 -36.45 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 105.58 -2.007 . . . . 50.0 105.58 -174.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.431 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -64.21 -34.54 90.2 Favored Glycine 0 C--O 1.211 -1.308 0 N-CA-C 107.669 -2.172 . . . . 25.0 107.669 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -85.67 -28.9 24.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 122.159 0.981 . . . . 25.0 112.02 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -87.47 -62.98 1.38 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 115.806 1.78 . . . . 25.0 115.806 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -83.98 -54.85 4.57 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 112.271 -2.24 . . . . 25.0 111.067 -170.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.604 -178.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.16 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.6 m -77.16 156.05 31.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.784 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -90.11 54.97 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.561 0.696 . . . . 25.0 109.497 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -66.42 131.77 46.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.566 0.698 . . . . 25.0 109.687 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.15 -15.03 62.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.59 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -123.98 163.79 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -81.41 112.46 18.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.7 m -117.53 144.11 45.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.439 -0.949 . . . . 25.0 108.439 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -146.45 161.53 40.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.581 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.99 102.18 4.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 100.296 -3.964 . . . . 25.0 100.296 165.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.06 -50.46 54.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 121.809 0.814 . . . . 25.0 110.447 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -143.63 121.67 12.12 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 113.872 -1.513 . . . . 25.0 109.736 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -81.98 126.57 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 106.209 -1.775 . . . . 50.0 106.209 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 t -84.61 -45.33 17.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 106.572 -1.64 . . . . 50.0 106.572 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -146.21 147.01 31.0 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.857 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.66 120.46 13.48 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.04 165.25 22.59 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 113.537 0.939 . . . . 25.0 113.537 -171.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 140.91 21.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.53 -1.668 . . . . 25.0 109.842 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.6 tm0? -98.75 129.39 45.18 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mt -100.19 139.66 21.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.15 -155.68 26.24 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 108.763 -1.735 . . . . 25.0 108.763 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -23.89 63.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.467 0.634 . . . . 25.0 109.358 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 163.29 17.43 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 104.144 -3.582 . . . . 25.0 104.144 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -128.15 129.85 69.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 CA-C-N 118.416 1.108 . . . . 50.0 108.42 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -127.12 117.0 21.53 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.111 -0.368 . . . . 25.0 110.284 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -91.78 137.93 31.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -122.29 132.37 54.38 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -127.44 131.36 50.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -121.54 130.23 53.4 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 123.483 1.611 . . . . 25.0 107.382 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.06 143.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 121.476 3.88 . . . . 50.0 121.476 -165.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -92.18 129.64 38.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.343 -1.753 . . . . 25.0 109.464 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 150.92 22.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.253 1.025 . . . . 25.0 111.505 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.63 -178.95 44.9 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 104.136 -3.586 . . . . 25.0 104.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -123.93 144.19 49.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.6 p -95.47 142.84 27.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.5 p -77.97 -21.29 51.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.146 0.498 . . . . 25.0 110.385 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.4 p -99.7 179.36 4.56 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.788 0.804 . . . . 25.0 111.549 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 p -117.2 169.28 9.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.889 -1.05 . . . . 25.0 111.577 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -60.46 -24.05 64.93 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 115.595 1.702 . . . . 25.0 115.595 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.277 0.8 OUTLIER -104.69 -14.87 15.44 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 118.07 2.619 . . . . 25.0 118.07 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.37 153.29 69.59 Favored Pre-proline 0 C--N 1.298 -1.648 0 CA-C-N 112.525 -2.125 . . . . 25.0 114.256 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.0 17.38 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 122.666 2.244 . . . . 25.0 117.6 -173.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -131.73 32.96 4.05 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.3 1.593 . . . . 25.0 115.3 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.64 -15.93 13.89 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 118.76 2.874 . . . . 50.0 118.76 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -42.22 10.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 119.983 1.265 . . . . 25.0 111.479 176.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -88.39 -34.5 17.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -172.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -55.67 38.5 Favored Pre-proline 0 C--N 1.321 -0.673 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.379 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.57 -25.66 34.53 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 113.491 -3.872 . . . . 25.0 113.489 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.66 -38.62 81.96 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.103 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -83.18 -27.5 30.0 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -68.89 -37.56 79.1 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.754 -0.591 . . . . 25.0 112.019 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -54.44 -57.23 19.61 Favored Pre-proline 0 C--N 1.323 -0.556 0 C-N-CA 119.277 -0.969 . . . . 25.0 111.876 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.36 -20.1 37.15 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 114.738 -3.042 . . . . 25.0 115.039 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.742 -0.599 . . . . 25.0 109.801 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 103.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.455 0.645 . . . . 50.0 111.409 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -32.38 60.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -87.53 134.68 33.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -116.38 110.03 18.13 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.13 141.18 28.88 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 103.72 -2.696 . . . . 25.0 103.72 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -122.46 139.5 53.8 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.15 157.04 46.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.234 -0.893 . . . . 25.0 111.612 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -129.74 128.69 42.97 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -121.42 137.4 54.73 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -130.26 122.44 28.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.78 118.09 57.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -90.29 126.11 35.73 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.79 135.91 45.28 Favored 'General case' 0 CA--C 1.49 -1.335 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.19 103.0 23.09 Favored Pre-proline 0 N--CA 1.436 -1.154 1 N-CA-C 94.809 -5.997 . . . . 50.0 94.809 -173.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.1 -24.91 12.21 Favored 'Trans proline' 0 N--CA 1.455 -0.742 1 C-N-CA 106.763 -8.358 . . . . 25.0 113.982 -169.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -62.19 -34.03 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.735 -1.12 . . . . 25.0 112.415 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -97.69 -3.39 39.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.656 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.38 24.14 75.01 Favored Glycine 0 N--CA 1.461 0.341 0 CA-C-O 122.303 0.946 . . . . 25.0 112.259 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.94 167.37 14.79 Favored 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 124.241 1.017 . . . . 25.0 108.966 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.417 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 26.2 ptt? -148.28 157.27 43.39 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 170.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.6 m -139.27 139.46 37.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.3 0.64 . . . . 25.0 110.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.27 112.88 3.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.395 0.617 . . . . 50.0 109.38 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -85.01 -25.77 27.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.502 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.69 145.75 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.764 0.316 . . . . 25.0 110.547 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.29 115.73 8.07 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -132.53 145.3 51.04 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 105.655 -1.979 . . . . 25.0 105.655 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.71 169.24 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -121.47 155.27 35.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.703 -1.962 . . . . 25.0 105.703 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.2 151.47 23.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.352 0 CA-C-O 117.353 -1.308 . . . . 25.0 108.112 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.407 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.89 142.39 35.0 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 113.776 -3.682 . . . . 25.0 110.897 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.28 147.23 30.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.52 142.68 29.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.03 158.64 26.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.82 155.64 38.59 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.14 -17.66 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.737 0.78 . . . . 50.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.96 -23.04 48.6 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.51 -1.223 . . . . 25.0 111.649 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 144.55 25.25 Favored 'General case' 0 CA--C 1.455 -2.704 0 N-CA-C 121.397 3.851 . . . . 25.0 121.397 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -61.22 -37.73 84.08 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 113.082 -1.872 . . . . 25.0 110.776 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.23 -22.86 78.54 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 114.379 -1.282 . . . . 25.0 112.187 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.41 -50.01 14.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 CA-C-N 118.01 0.905 . . . . 50.0 110.715 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -50.93 -43.47 60.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.845 1.202 . . . . 25.0 113.522 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -25.75 68.23 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.23 -37.51 20.0 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.61 -62.58 1.63 Allowed 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.96 -32.07 72.24 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 123.846 0.716 . . . . 25.0 109.71 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.46 -47.99 71.35 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.2 79.58 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.288 1.2 t -72.8 -39.12 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.141 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.35 -37.08 94.28 Favored Glycine 0 N--CA 1.437 -1.282 0 N-CA-C 107.971 -2.052 . . . . 25.0 107.971 -175.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -85.19 -28.4 25.47 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.266 1.032 . . . . 25.0 112.032 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -87.01 -62.77 1.43 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -83.94 -52.01 6.69 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 112.869 -1.968 . . . . 25.0 112.037 -171.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -70.99 -30.73 67.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 25.0 109.641 -178.345 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.98 65.6 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 t -79.49 159.45 26.94 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.032 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -99.87 55.43 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.42 0.629 . . . . 25.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -64.79 130.08 42.18 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.5 mmt -68.09 -23.98 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.716 -0.675 . . . . 25.0 110.646 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -106.59 160.74 15.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.43 112.34 20.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.908 -1.515 . . . . 25.0 106.908 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -130.02 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -159.59 170.76 20.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.857 -1.535 . . . . 25.0 106.857 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.49 102.43 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.685 -2.339 . . . . 25.0 104.685 171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.57 -45.73 29.24 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-O 122.055 0.931 . . . . 25.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -143.09 122.03 12.76 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 113.821 -1.536 . . . . 25.0 108.719 -171.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.32 128.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.388 -1.338 . . . . 50.0 107.388 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -85.28 -44.74 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -143.28 139.61 30.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.107 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.24 114.98 13.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 105.631 -1.989 . . . . 25.0 105.631 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.45 162.15 41.59 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 121.842 0.829 . . . . 25.0 111.052 -174.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 149.18 34.93 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.572 -1.195 . . . . 25.0 113.046 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.5 140.65 32.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.77 138.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.12 0.486 . . . . 25.0 112.01 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . 154.95 -155.44 26.23 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 121.011 -0.614 . . . . 25.0 111.569 176.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 8.32 4.22 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.166 0.984 . . . . 25.0 109.732 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 57' ' ' GLY . . . -150.64 135.82 5.35 Favored Glycine 0 N--CA 1.442 -0.911 1 N-CA-C 99.843 -5.303 . . . . 25.0 99.843 174.37 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.63 138.76 53.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 105.169 -2.16 . . . . 50.0 105.169 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.17 117.67 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -91.72 111.28 22.73 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 88.2 m-85 -98.45 116.39 30.57 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -124.25 116.76 23.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -114.48 137.36 51.95 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-O 123.914 1.816 . . . . 25.0 110.042 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.11 146.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 109.937 -3.302 . . . . 50.0 118.548 -166.425 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -107.69 127.55 53.77 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 105.681 -1.97 . . . . 25.0 105.681 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.17 158.87 15.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.24 1.019 . . . . 25.0 113.413 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.03 171.74 44.35 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 105.345 -3.102 . . . . 25.0 105.345 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -127.89 146.74 50.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 p -112.26 145.61 39.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.2 p -77.09 -19.44 57.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.822 1.415 . . . . 25.0 114.822 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -122.51 169.28 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 115.169 1.544 . . . . 25.0 115.169 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.486 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 3.2 p -104.93 171.41 7.33 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.083 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -64.42 -15.0 59.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 115.371 1.619 . . . . 25.0 115.371 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -15.09 14.18 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 118.405 2.743 . . . . 25.0 118.405 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 74' ' ' THR . 19.5 mm-40 -53.1 150.7 10.24 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 112.226 -2.261 . . . . 25.0 112.353 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.6 0.64 7.87 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 121.624 1.549 . . . . 25.0 116.12 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.13 47.7 2.38 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.38 -13.94 53.74 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.616 1.709 . . . . 50.0 115.616 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.35 -41.86 13.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.251 1.024 . . . . 25.0 109.235 176.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.42 -37.94 24.76 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 115.558 1.688 . . . . 25.0 115.558 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.8 m -63.15 -55.64 35.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 C-N-CA 119.438 -0.905 . . . . 25.0 111.046 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.41 -26.55 47.84 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 113.899 -3.601 . . . . 25.0 113.685 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.3 -40.37 90.23 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 118.011 0.369 . . . . 25.0 110.935 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -84.54 -27.86 27.05 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.1 -46.14 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.072 -0.392 . . . . 25.0 110.752 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.81 -50.9 84.49 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.61 -18.82 42.69 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 114.592 -3.138 . . . . 25.0 114.402 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.52 -35.43 53.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.198 0.523 . . . . 25.0 110.691 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 87.8 2.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.767 0.794 . . . . 50.0 111.429 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -124.84 7.19 8.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.627 -0.715 . . . . 25.0 112.267 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.94 121.15 25.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.04 109.79 16.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.13 118.03 19.92 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -116.69 139.46 50.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.5 m -110.61 151.56 27.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.681 -1.6 . . . . 25.0 110.869 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.1 m -129.9 113.04 14.14 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -106.72 135.48 48.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -128.51 109.97 11.86 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 mt -103.53 117.39 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -90.19 121.04 31.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.1 135.64 41.22 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.19 103.33 34.01 Favored Pre-proline 0 N--CA 1.436 -1.16 1 N-CA-C 95.859 -5.608 . . . . 50.0 95.859 -172.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.47 -21.4 15.04 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 106.871 -8.286 . . . . 25.0 113.62 -172.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -15.6 57.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -123.45 -2.64 8.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.544 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.58 16.97 76.11 Favored Glycine 0 N--CA 1.461 0.343 0 CA-C-O 122.007 0.782 . . . . 25.0 111.937 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -111.21 167.49 10.24 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 123.676 0.79 . . . . 25.0 109.184 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' MET . . . . . 0.437 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.35 157.53 43.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 169.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 m -143.7 138.19 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.071 0.548 . . . . 25.0 110.291 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.44 114.03 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -86.88 -28.85 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.194 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -153.7 141.18 19.78 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.63 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 p -140.11 120.85 14.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.842 -2.281 . . . . 25.0 104.842 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -137.08 149.52 47.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 104.76 -2.311 . . . . 25.0 104.76 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 5.3 m -153.14 169.47 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.473 0.483 . . . . 25.0 111.534 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -128.01 148.68 50.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.09 151.5 25.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.86 -1.067 . . . . 25.0 110.078 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 110.501 -0.185 . . . . 25.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -75.17 158.77 83.72 Favored Pre-proline 0 C--O 1.24 0.579 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.98 172.7 14.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 N-CA-C 109.232 -1.103 . . . . 25.0 109.232 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.25 -161.66 26.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.82 -1.181 . . . . 25.0 114.488 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.22 163.85 48.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 123.775 0.83 . . . . 25.0 109.729 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.91 138.31 52.34 Favored 'Trans proline' 0 CA--C 1.54 0.824 1 C-N-CA 112.151 -4.766 . . . . 25.0 108.896 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.0 152.16 67.95 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 117.159 -1.427 . . . . 25.0 112.431 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.33 121.3 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt -131.07 147.32 52.61 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 104.78 -2.304 . . . . 50.0 104.78 175.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -136.75 -71.37 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 113.277 -1.783 . . . . 50.0 109.991 -169.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.81 149.93 5.64 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 109.071 -1.612 . . . . 25.0 109.071 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.68 -168.47 35.76 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.745 -0.942 . . . . 25.0 110.745 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -77.11 139.69 19.28 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.44 -2.573 . . . . 25.0 111.884 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 ptm -148.98 147.52 28.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 143.25 31.42 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 151.4 40.5 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 m -74.04 160.0 31.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.531 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.85 -16.1 20.5 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.02 -28.7 62.5 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.431 0.692 . . . . 25.0 110.902 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.316 4.8 mp0 -54.43 123.83 14.19 Favored 'General case' 0 CA--C 1.438 -3.327 1 N-CA-C 121.849 4.018 . . . . 25.0 121.849 169.429 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.8 pm0 -64.63 -27.84 69.21 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 112.315 -2.22 . . . . 25.0 110.96 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.07 -27.98 73.63 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 110.573 -1.011 . . . . 25.0 110.573 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.45 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -54.2 -37.78 64.91 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.777 0.831 . . . . 25.0 112.654 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -29.19 69.38 Favored 'General case' 0 C--O 1.207 -1.177 0 C-N-CA 119.744 -0.783 . . . . 25.0 112.751 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -32.59 22.07 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.26 -55.66 23.01 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.68 -36.89 83.6 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.72 -45.87 90.72 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.53 77.15 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.633 0.975 . . . . 25.0 113.633 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.276 1.1 t -72.54 -40.1 62.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.171 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -174.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.74 -37.25 94.52 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -85.3 -28.24 25.41 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.59 1.186 . . . . 25.0 112.016 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -86.86 -63.04 1.37 Allowed 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -84.11 -53.58 5.43 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 112.461 -2.154 . . . . 25.0 111.697 -171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.63 -30.28 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.369 -178.631 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.71 -32.11 65.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -77.38 159.52 29.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.3 139.53 58.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -76.88 101.29 5.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.8 mmm -96.6 -45.91 6.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -142.06 136.8 30.54 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 100.599 -3.852 . . . . 25.0 100.599 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.54 126.46 27.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -142.22 143.58 32.97 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -146.47 159.72 43.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.832 -1.174 . . . . 25.0 107.832 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.34 103.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 101.739 -3.43 . . . . 25.0 101.739 168.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.95 -49.85 41.03 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 122.061 0.934 . . . . 25.0 109.02 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -148.66 127.34 12.49 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 113.514 -1.675 . . . . 25.0 109.384 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 ' HA ' HG21 ' A' ' 66' ' ' VAL . 2.2 t -82.66 130.06 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.75 -40.3 11.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.178 -0.919 . . . . 50.0 109.161 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -141.67 142.85 33.36 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.56 104.87 4.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -141.75 168.56 19.46 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-O 121.579 0.704 . . . . 25.0 110.88 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 152.95 35.53 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.831 -1.077 . . . . 25.0 111.071 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 33.5 tt0 -98.95 130.3 45.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.94 127.74 67.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.8 -158.63 31.56 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 109.348 -1.501 . . . . 25.0 109.348 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -22.65 67.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.215 0.508 . . . . 25.0 110.945 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.48 137.79 10.52 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 104.45 -3.46 . . . . 25.0 104.45 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.83 113.86 43.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 CA-C-N 118.134 0.967 . . . . 50.0 108.486 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -112.2 118.1 34.38 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -91.72 133.29 35.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.432 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 91.6 m-85 -123.18 115.01 21.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.54 129.96 52.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -119.79 138.77 53.15 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 123.683 1.706 . . . . 25.0 107.878 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 140.93 22.69 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.474 0 CA-C-N 109.851 -3.341 . . . . 50.0 119.525 -167.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.41 123.08 36.46 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.44 159.63 14.88 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.15 161.47 35.3 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.308 -1.117 . . . . 25.0 110.308 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.43 126.24 30.58 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 100.912 -3.736 . . . . 25.0 100.912 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 p -88.62 142.97 27.25 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 119.636 -0.826 . . . . 25.0 111.123 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 p -72.14 -17.12 61.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.429 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.1 m -125.27 172.35 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.496 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.7 p -111.93 175.0 5.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.02 0.914 . . . . 25.0 111.067 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.641 1.719 . . . . 25.0 115.641 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.274 0.8 OUTLIER -106.77 -14.18 15.06 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 117.037 2.236 . . . . 25.0 117.037 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.496 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.0 mm100 -69.3 153.48 95.86 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 111.884 -2.417 . . . . 25.0 111.758 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.48 177.98 8.13 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 121.779 1.652 . . . . 25.0 113.032 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 60.96 40.29 15.57 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.18 -10.4 1.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 117.104 2.261 . . . . 50.0 117.104 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.33 -41.82 17.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.408 1.099 . . . . 25.0 110.139 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -83.42 -37.42 23.25 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 114.206 1.188 . . . . 25.0 114.206 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.62 -53.88 61.03 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.995 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.35 -24.4 37.2 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 115.642 -2.438 . . . . 25.0 114.021 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.25 -39.57 83.25 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -81.69 -19.63 41.19 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.63 -37.39 70.89 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.797 -0.564 . . . . 25.0 111.1 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.33 -56.59 20.93 Favored Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -69.22 -14.86 38.53 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 115.117 -2.789 . . . . 25.0 114.02 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.16 -16.55 54.64 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.024 -0.422 . . . . 25.0 111.199 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.63 90.69 0.4 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.036 0.446 . . . . 50.0 111.32 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.52 -32.3 71.05 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -115.59 123.83 49.43 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 100.885 -3.746 . . . . 25.0 100.885 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -86.79 109.8 19.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 128.57 34.69 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.78 -1.193 . . . . 25.0 107.78 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -122.84 141.31 52.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.142 0.972 . . . . 25.0 109.466 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.34 157.09 42.87 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.08 -1.418 . . . . 25.0 110.309 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -129.67 125.74 36.7 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 107.688 -1.226 . . . . 25.0 107.688 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -119.26 132.8 55.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -126.64 121.58 32.55 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.46 120.65 63.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -91.55 120.92 32.78 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.77 134.78 42.17 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 104.213 -2.514 . . . . 25.0 104.213 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.63 103.08 25.61 Favored Pre-proline 0 N--CA 1.432 -1.359 1 N-CA-C 95.926 -5.583 . . . . 50.0 95.926 -172.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.0 -21.6 15.68 Favored 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 106.841 -8.306 . . . . 25.0 114.65 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -61.13 -20.74 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.058 -0.974 . . . . 25.0 113.506 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.71 -3.4 10.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.116 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.17 14.78 74.13 Favored Glycine 0 N--CA 1.46 0.273 0 CA-C-O 121.664 0.591 . . . . 25.0 112.01 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -103.91 167.32 9.85 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 123.66 0.784 . . . . 25.0 109.091 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.44 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.6 ptt? -148.29 157.66 43.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.5 m -142.61 140.01 31.52 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.145 0.578 . . . . 25.0 110.027 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.5 113.48 4.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.64 0.733 . . . . 50.0 109.412 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -83.45 -34.18 25.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 25.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.42 141.52 22.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 25.0 111.795 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 116.89 12.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -133.3 147.15 51.87 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.61 170.24 19.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -173.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -124.77 159.73 30.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.509 -1.223 . . . . 25.0 109.061 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.32 151.39 23.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.71 0.404 . . . . 25.0 111.497 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 117.113 -1.423 . . . . 25.0 111.092 -178.297 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 110.429 -0.212 . . . . 25.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -79.73 146.72 65.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.1 172.75 14.12 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 117.935 -0.91 . . . . 25.0 112.68 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.97 151.92 37.09 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -156.17 152.52 23.58 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.39 166.22 29.17 Favored 'Trans proline' 0 C--O 1.242 0.703 0 O-C-N 122.379 0.673 . . . . 25.0 110.931 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.65 158.54 53.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 117.1 -1.466 . . . . 25.0 111.488 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.41 110.29 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -86.11 148.72 25.56 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.624 0.725 . . . . 50.0 110.771 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.08 31.51 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 106.155 -1.794 . . . . 50.0 106.155 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -132.33 11.22 Favored Glycine 0 C--O 1.228 -0.27 0 N-CA-C 106.707 -2.557 . . . . 25.0 106.707 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.18 -58.18 15.85 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.74 148.4 58.64 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.928 -2.915 . . . . 25.0 111.081 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.6 ptp -148.75 149.08 30.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.787 0.291 . . . . 25.0 111.787 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.43 128.62 38.34 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.087 -3.672 . . . . 25.0 101.087 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.43 160.16 20.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.69 156.21 32.73 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 m -69.03 -19.7 24.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -74.22 -24.04 59.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.398 -1.273 . . . . 25.0 111.425 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.28 0.8 OUTLIER -53.99 136.11 41.79 Favored 'General case' 0 CA--C 1.44 -3.271 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.26 -32.6 74.05 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 113.367 -1.742 . . . . 25.0 112.044 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.99 74.59 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.176 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.02 -50.92 13.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 117.601 0.7 . . . . 50.0 111.754 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -50.12 -47.02 54.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.995 0.518 . . . . 25.0 112.223 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -28.49 69.54 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.6 24.05 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.21 -54.85 23.21 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.21 -35.85 80.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 123.615 0.572 . . . . 25.0 109.498 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -61.4 -46.41 90.28 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.68 82.79 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.265 1.1 t -74.71 -38.86 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.28 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 -173.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.51 -36.78 93.66 Favored Glycine 0 C--O 1.207 -1.584 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.47 -27.99 25.32 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.416 1.103 . . . . 25.0 111.541 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -86.81 -63.56 1.29 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -83.5 -52.56 6.38 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 112.404 -2.18 . . . . 25.0 112.266 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -71.04 -30.18 66.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.248 -178.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.95 -32.08 66.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -77.74 158.04 29.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.446 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -93.7 55.45 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.383 0.611 . . . . 25.0 111.214 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -66.2 130.84 44.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.636 0.731 . . . . 25.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.45 -25.48 63.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.029 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.41 162.43 13.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -88.53 112.4 22.96 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -121.1 143.54 49.03 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -151.35 168.98 23.12 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.54 103.43 2.49 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 102.289 -3.226 . . . . 25.0 102.289 171.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 88' ' ' GLN . 11.6 mt -65.63 -45.08 84.44 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-O 121.397 0.618 . . . . 25.0 110.754 -176.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -161.68 136.67 7.3 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.14 -1.391 . . . . 25.0 108.212 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 HG22 ' A' ' 66' ' ' VAL . 2.2 t -84.95 136.87 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.522 0.677 . . . . 50.0 110.185 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.53 -44.09 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.02 140.18 34.26 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.11 118.3 12.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.55 166.25 32.61 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.77 28.12 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.711 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -104.1 135.82 44.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.69 134.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.04 -145.86 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 105.423 -3.071 . . . . 25.0 105.423 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.53 -24.8 66.87 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.178 0.989 . . . . 25.0 110.056 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.79 162.2 21.69 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 105.296 -3.122 . . . . 25.0 105.296 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -119.18 130.81 73.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -132.96 117.03 17.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.884 0.373 . . . . 25.0 110.539 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.88 136.78 32.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 90.3 m-85 -123.4 113.34 18.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -121.07 119.77 33.42 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -114.24 135.22 54.3 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 123.193 1.473 . . . . 25.0 107.194 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG22 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -142.59 144.16 24.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 121.267 3.803 . . . . 50.0 121.267 -163.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -93.71 131.33 39.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.766 -1.561 . . . . 25.0 108.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.38 159.4 15.02 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.73 160.45 25.33 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 106.146 -2.782 . . . . 25.0 106.146 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -102.89 148.73 25.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.5 p -88.85 143.53 26.83 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -70.35 -19.52 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 25.0 111.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.9 m -121.58 171.73 8.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.548 . . . . 25.0 110.614 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.4 p -104.97 174.06 6.04 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 122.011 0.91 . . . . 25.0 111.433 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -61.85 -21.95 65.1 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.257 0.7 OUTLIER -105.78 -14.77 15.14 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 118.414 2.746 . . . . 25.0 118.414 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -55.51 153.39 14.88 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 112.591 -2.095 . . . . 25.0 113.387 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.98 -18.46 65.27 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 N-CA-C 119.323 2.778 . . . . 25.0 119.323 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -131.54 64.47 1.59 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.78 -10.48 20.14 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.861 1.43 . . . . 50.0 114.861 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -42.27 13.4 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.521 1.153 . . . . 25.0 110.335 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -86.43 -34.32 20.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 -171.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.05 -55.41 37.58 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 119.519 -0.873 . . . . 25.0 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.25 -24.77 43.51 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 114.908 -2.928 . . . . 25.0 114.373 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.2 -43.14 92.23 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.05 -26.42 33.75 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.36 -52.34 66.04 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.906 -0.496 . . . . 25.0 111.308 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 47' ' ' LEU . 2.1 mm-40 -53.48 -56.49 24.14 Favored Pre-proline 0 CA--C 1.508 -0.646 0 C-N-CA 119.159 -1.016 . . . . 25.0 113.722 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.18 -26.59 36.06 Favored 'Trans proline' 0 N--CA 1.452 -0.933 1 C-N-CA 111.623 -5.118 . . . . 25.0 115.967 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -73.87 -25.64 60.14 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.959 -0.463 . . . . 25.0 112.187 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.66 83.41 1.58 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.235 -1.024 . . . . 50.0 108.235 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -34.84 77.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.77 133.32 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -124.53 144.55 50.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.73 152.63 45.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.116 -2.179 . . . . 25.0 105.116 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -124.24 139.78 53.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.405 1.097 . . . . 25.0 113.733 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.73 160.12 23.17 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.249 -1.341 . . . . 25.0 111.04 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -129.88 117.42 20.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.839 -1.541 . . . . 25.0 106.839 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -113.35 134.04 54.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -129.17 117.55 20.97 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.11 119.07 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -91.54 125.82 36.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.798 -1.926 . . . . 25.0 105.798 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.57 133.85 46.88 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.58 103.01 24.91 Favored Pre-proline 0 N--CA 1.433 -1.278 1 N-CA-C 96.473 -5.38 . . . . 50.0 96.473 -171.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.13 -23.56 13.46 Favored 'Trans proline' 0 N--CA 1.452 -0.915 1 C-N-CA 106.537 -8.508 . . . . 25.0 114.959 -167.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.31 -30.25 68.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.127 -0.942 . . . . 25.0 113.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -106.73 -4.85 18.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.57 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.1 17.89 77.52 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-O 121.931 0.74 . . . . 25.0 111.609 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -108.99 167.43 10.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.9 ptp -148.28 157.54 43.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 169.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -145.17 141.98 29.2 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.871 0.468 . . . . 25.0 110.385 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.06 110.72 3.06 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.883 0.849 . . . . 50.0 109.395 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 42.8 t -84.81 -26.58 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.098 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -150.06 135.62 18.28 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.69 108.22 6.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -127.46 147.03 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.599 -2.0 . . . . 25.0 105.599 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 m -148.35 173.4 13.09 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.34 152.29 51.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.03 -2.582 . . . . 25.0 104.03 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.7 151.55 23.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.13 0.49 . . . . 25.0 111.87 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 116.59 -1.672 . . . . 25.0 107.368 -179.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p 38.6 69.51 1.54 Allowed Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 115.786 1.772 . . . . 25.0 115.786 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 -11.61 26.34 Favored 'Trans proline' 0 C--N 1.349 0.566 0 N-CA-C 116.463 1.678 . . . . 25.0 116.463 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.66 -166.26 34.19 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.014 -1.088 . . . . 25.0 111.57 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -141.51 60.52 11.88 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.2 161.6 35.02 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 118.086 -0.809 . . . . 25.0 112.941 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.51 166.65 28.93 Favored 'Trans proline' 0 C--N 1.35 0.619 0 N-CA-C 109.91 -0.842 . . . . 25.0 109.91 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -149.52 112.08 4.75 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.952 -0.467 . . . . 25.0 111.95 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.561 ' HG ' ' H ' ' A' ' 15' ' ' ASP . 5.1 mp -129.91 65.4 1.5 Allowed 'General case' 0 CA--C 1.453 -2.781 0 N-CA-C 107.473 -1.306 . . . . 50.0 107.473 172.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.84 122.31 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.417 -2.09 0 CA-C-N 113.263 -1.789 . . . . 50.0 110.112 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.12 -146.4 29.25 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.15 -1.18 . . . . 25.0 110.15 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.93 -57.59 18.21 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-O 118.939 -0.923 . . . . 25.0 114.318 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 90.1 Cg_endo -79.2 140.07 15.33 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 115.534 -2.511 . . . . 25.0 115.372 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.75 146.91 31.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.721 -1.127 . . . . 25.0 108.859 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.561 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 66.6 m-20 -85.1 145.74 27.5 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.02 156.76 35.89 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.08 158.21 33.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 m -69.58 -16.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -70.85 -29.24 65.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.805 -1.089 . . . . 25.0 111.19 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.281 0.8 OUTLIER -56.06 141.86 38.56 Favored 'General case' 0 CA--C 1.457 -2.598 1 N-CA-C 122.08 4.104 . . . . 25.0 122.08 179.462 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.25 -41.87 80.44 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 112.503 -2.135 . . . . 25.0 111.946 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.08 -25.69 74.34 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.182 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.4 t -86.35 -48.88 15.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 CA-C-N 117.813 0.807 . . . . 50.0 110.658 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -53.0 -40.91 64.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.133 0.879 . . . . 25.0 112.728 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -27.53 65.26 Favored 'General case' 0 C--O 1.206 -1.218 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -28.5 25.37 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.25 -62.66 1.61 Allowed 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 108.525 -0.917 . . . . 50.0 108.525 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -70.36 -32.89 70.77 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 123.517 0.511 . . . . 25.0 111.226 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.58 -49.21 78.44 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.35 82.98 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 114.595 1.332 . . . . 25.0 114.595 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.275 1.1 t -74.72 -36.39 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.19 0 N-CA-C 106.934 -1.506 . . . . 50.0 106.934 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.55 92.2 Favored Glycine 0 C--O 1.207 -1.553 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -85.82 -28.19 24.63 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 122.177 0.989 . . . . 25.0 111.766 -176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.88 -62.97 1.39 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 116.448 2.018 . . . . 25.0 116.448 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -84.23 -52.14 6.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.254 -2.248 . . . . 25.0 112.143 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.84 -31.56 68.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.96 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.54 -31.81 67.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -75.24 152.54 38.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.522 -0.763 . . . . 25.0 109.719 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -85.67 55.54 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 25.0 110.201 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.59 127.61 33.66 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.003 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mmt -67.25 -21.67 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -136.33 161.89 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -65.72 133.88 51.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.757 0.313 . . . . 25.0 111.15 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -143.13 149.11 37.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -154.94 167.31 30.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.42 104.76 2.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 102.419 -3.178 . . . . 25.0 102.419 167.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.83 -47.96 64.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.616 0.722 . . . . 25.0 111.425 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -154.94 138.04 15.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.45 -1.25 . . . . 25.0 107.64 -171.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.489 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.67 129.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.429 0.633 . . . . 50.0 109.4 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.3 t -86.0 -43.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -145.19 140.82 28.19 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.41 114.2 12.66 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 104.916 -2.254 . . . . 25.0 104.916 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.64 168.33 25.97 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 121.45 0.643 . . . . 25.0 109.926 -176.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.79 164.45 35.27 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.026 -0.988 . . . . 25.0 109.479 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 30.2 tt0 -134.58 120.74 19.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.79 137.82 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.79 -159.53 23.81 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 107.711 -2.156 . . . . 25.0 107.711 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.87 69.0 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.871 0.836 . . . . 25.0 109.155 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.47 148.7 16.98 Favored Glycine 0 N--CA 1.448 -0.543 1 N-CA-C 101.896 -4.482 . . . . 25.0 101.896 172.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.2 t -119.94 131.64 71.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -125.01 124.76 42.66 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.014 -0.428 . . . . 25.0 110.627 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.07 134.24 45.62 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 39.7 m-85 -123.41 114.79 20.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.548 -1.649 . . . . 25.0 106.548 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 117.01 24.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.78 136.21 53.1 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 122.922 1.344 . . . . 25.0 108.812 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG23 ' HA ' ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -147.74 143.24 19.66 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.183 1 N-CA-C 121.931 4.048 . . . . 50.0 121.931 -163.06 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.46 134.38 34.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.182 -1.372 . . . . 25.0 108.973 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.85 138.09 47.68 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.57 153.51 24.82 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 107.155 -2.378 . . . . 25.0 107.155 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -79.58 132.93 36.41 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 102.199 -3.259 . . . . 25.0 102.199 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -88.83 142.9 27.27 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.428 -0.909 . . . . 25.0 110.263 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -74.03 -15.85 61.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.398 0.618 . . . . 25.0 109.708 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.91 163.89 12.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.261 1.029 . . . . 25.0 111.179 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.9 p -109.11 173.34 6.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.86 -22.44 64.26 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.34 -15.02 15.56 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 119.464 3.135 . . . . 25.0 119.464 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -55.35 147.13 38.82 Favored Pre-proline 0 C--N 1.296 -1.754 0 CA-C-N 112.413 -2.176 . . . . 25.0 114.374 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.08 -16.49 14.07 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.239 1.292 . . . . 25.0 115.268 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.74 33.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.34 -11.19 13.99 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.66 2.096 . . . . 50.0 116.66 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.99 -42.12 14.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.737 1.256 . . . . 25.0 109.319 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.18 -36.17 27.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -173.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.66 -57.44 26.46 Favored Pre-proline 0 C--O 1.215 -0.728 0 C-N-CA 120.337 -0.545 . . . . 25.0 111.307 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.11 -25.68 43.51 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 114.351 -3.299 . . . . 25.0 114.008 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -61.86 -35.02 77.07 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.83 -37.16 35.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.229 0.538 . . . . 25.0 111.989 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.77 -38.74 80.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -58.1 -55.26 47.16 Favored Pre-proline 0 N--CA 1.472 0.672 0 N-CA-C 113.075 0.769 . . . . 25.0 113.075 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.65 -13.06 36.32 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 113.425 -3.917 . . . . 25.0 113.737 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -79.05 -6.91 57.53 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.802 -0.561 . . . . 25.0 110.65 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.88 68.69 0.9 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 122.179 0.99 . . . . 50.0 111.316 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -85.72 14.71 5.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.693 0.759 . . . . 25.0 110.032 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -138.1 150.15 46.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 101.5 -3.519 . . . . 25.0 101.5 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 134.07 35.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 118.839 -0.601 . . . . 25.0 109.471 -167.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.55 113.33 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.657 -1.217 . . . . 25.0 112.618 160.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -124.57 139.6 53.72 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 106.979 -1.489 . . . . 25.0 106.979 165.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 75.3 m -120.09 158.36 27.03 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 123.725 0.81 . . . . 25.0 110.286 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -129.83 112.56 13.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.43 -0.805 . . . . 25.0 108.939 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -104.93 126.91 52.5 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -127.04 110.99 13.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.8 mt -102.37 129.86 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -98.76 125.01 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.53 134.93 46.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.66 103.37 27.66 Favored Pre-proline 0 N--CA 1.433 -1.28 1 N-CA-C 95.813 -5.625 . . . . 50.0 95.813 -171.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.08 -25.57 11.61 Favored 'Trans proline' 0 N--CA 1.454 -0.795 1 C-N-CA 106.319 -8.654 . . . . 25.0 114.112 -170.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -60.93 -30.2 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.745 -1.116 . . . . 25.0 112.351 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -103.54 -1.67 27.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.675 -0.693 . . . . 25.0 112.322 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.1 30.01 76.82 Favored Glycine 0 N--CA 1.467 0.736 0 CA-C-O 122.527 1.071 . . . . 25.0 112.219 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.05 167.41 19.76 Favored 'General case' 0 CA--C 1.498 -1.056 0 C-N-CA 124.205 1.002 . . . . 25.0 108.743 -174.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.1 ptp -148.2 157.55 43.56 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 171.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -144.62 141.62 29.53 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 123.192 0.597 . . . . 25.0 109.409 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.42 115.61 5.86 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -83.93 -34.19 24.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.903 -0.589 . . . . 25.0 109.79 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -151.28 138.33 19.15 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.43 47.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 102.917 -2.994 . . . . 25.0 102.917 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.8 t -145.92 156.56 43.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 105.947 -1.871 . . . . 25.0 105.947 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 10.3 m -146.68 177.81 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.446 0.466 . . . . 25.0 112.135 -174.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -106.62 150.02 26.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.9 138.37 35.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.099 -1.075 . . . . 25.0 108.099 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.219 -0.896 . . . . 25.0 112.827 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 119.024 -0.512 . . . . 25.0 110.068 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -147.8 135.91 11.01 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.4 -169.29 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.214 1.943 . . . . 25.0 112.635 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.29 -9.26 67.66 Favored Glycine 0 C--O 1.225 -0.425 0 N-CA-C 114.836 0.694 . . . . 25.0 114.836 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -80.59 145.52 58.87 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.18 159.03 55.46 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 117.973 -0.884 . . . . 25.0 111.474 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -67.08 115.16 3.49 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 118.026 -0.849 . . . . 25.0 113.585 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -154.95 148.07 24.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.527 -2.398 . . . . 25.0 104.527 178.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.96 -19.95 65.01 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 113.075 0.768 . . . . 50.0 113.075 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t 69.03 -37.74 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.76 -175.58 14.07 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 107.035 -2.426 . . . . 25.0 107.035 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.81 178.11 42.33 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 109.276 -1.53 . . . . 25.0 109.276 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -65.17 151.51 85.25 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 119.208 1.504 . . . . 25.0 114.182 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -149.01 147.83 29.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.13 150.27 23.44 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 173.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.4 155.83 36.62 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -74.43 155.2 38.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -69.64 -17.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.771 -1.196 . . . . 50.0 107.771 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -74.24 -24.4 59.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.719 -1.128 . . . . 25.0 111.174 175.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 1.0 OUTLIER -57.86 131.68 51.09 Favored 'General case' 0 CA--C 1.435 -3.462 0 N-CA-C 120.629 3.566 . . . . 25.0 120.629 172.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.98 -33.34 75.19 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 113.681 -1.6 . . . . 25.0 112.209 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.95 -27.62 69.0 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.989 -0.845 . . . . 25.0 110.989 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.23 -51.96 12.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-O 119.1 -0.476 . . . . 50.0 111.208 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -49.35 -47.24 47.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.404 0.681 . . . . 25.0 112.764 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -29.54 70.82 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.51 24.29 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.32 -60.06 4.11 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.534 -0.913 . . . . 50.0 108.534 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.56 -31.46 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.379 0.424 . . . . 25.0 110.517 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.36 -49.7 75.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.61 74.51 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.711 1.374 . . . . 25.0 114.711 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.274 1.2 t -76.09 -35.71 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -175.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.444 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.86 -34.1 89.03 Favored Glycine 0 C--O 1.211 -1.329 0 N-CA-C 106.982 -2.447 . . . . 25.0 106.982 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -85.31 -31.08 23.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.85 0.833 . . . . 25.0 112.274 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -87.67 -62.95 1.38 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -84.32 -51.86 6.66 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 111.743 -2.48 . . . . 25.0 111.879 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.829 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.09 70.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -77.52 157.92 30.15 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.393 -0.822 . . . . 25.0 109.563 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -93.64 57.34 2.53 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.543 0.687 . . . . 25.0 111.14 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.25 132.1 48.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.501 0.667 . . . . 25.0 110.15 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.9 mtm -67.59 -20.61 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.821 . . . . 25.0 112.184 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.72 161.84 19.43 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -78.17 112.5 15.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 m -124.18 139.68 53.69 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.24 171.08 20.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.856 -0.338 . . . . 25.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.74 102.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 171.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -45.15 72.96 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.423 0.63 . . . . 25.0 112.55 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -153.13 131.13 11.79 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.496 -1.229 . . . . 25.0 108.386 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.96 130.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -86.33 -43.91 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -144.97 143.53 30.57 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.747 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.98 12.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.906 -2.257 . . . . 25.0 104.906 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.54 163.67 39.13 Favored 'General case' 0 CA--C 1.479 -1.782 0 CA-C-O 121.553 0.692 . . . . 25.0 110.306 -174.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 137.3 47.91 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 114.512 -1.222 . . . . 25.0 110.871 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -98.59 133.34 43.08 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.386 -2.45 . . . . 25.0 104.386 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.0 138.99 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.53 -134.8 2.17 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.07 -8.76 51.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.627 0.713 . . . . 25.0 110.729 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.16 31.63 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 104.293 -3.523 . . . . 25.0 104.293 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.09 137.76 56.73 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 118.763 1.281 . . . . 50.0 107.793 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -133.45 124.99 28.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.691 -0.631 . . . . 25.0 109.754 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.22 114.28 26.35 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 42.6 m-85 -99.76 115.92 30.65 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.62 123.95 48.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -118.84 134.15 55.36 Favored 'General case' 0 CA--C 1.484 -1.566 0 CA-C-O 123.322 1.534 . . . . 25.0 107.641 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.75 142.74 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.308 0 N-CA-C 121.428 3.862 . . . . 50.0 121.428 -163.575 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -94.05 133.2 37.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.459 -1.701 . . . . 25.0 108.756 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.16 150.84 20.69 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.878 0.847 . . . . 25.0 112.31 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.5 175.95 45.53 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 105.853 -2.899 . . . . 25.0 105.853 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -122.81 146.68 47.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.1 p -106.4 142.86 35.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 25.0 110.578 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 p -73.96 -23.72 59.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.937 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 63.8 m -123.46 174.43 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.759 0.79 . . . . 25.0 111.969 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.622 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.5 p -136.59 178.76 6.82 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 114.632 -1.167 . . . . 25.0 110.116 -174.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -58.0 -25.24 60.81 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 116.627 2.084 . . . . 25.0 116.627 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.296 0.7 OUTLIER -107.82 -14.59 14.75 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 116.137 1.903 . . . . 25.0 116.137 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.622 ' HB2' ' H ' ' A' ' 74' ' ' THR . 8.0 mm100 -75.65 153.41 85.39 Favored Pre-proline 0 C--N 1.296 -1.737 0 CA-C-N 111.453 -2.612 . . . . 25.0 108.366 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.15 170.61 19.99 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 121.42 1.413 . . . . 25.0 113.999 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 57.99 49.95 10.96 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.268 1.951 . . . . 25.0 116.268 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.99 -10.46 9.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.351 1.241 . . . . 50.0 114.351 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -42.19 13.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.762 1.268 . . . . 25.0 109.118 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -87.23 -35.03 18.75 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.9 m -62.93 -57.41 21.55 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.586 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -67.86 -25.31 39.21 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 114.382 -3.278 . . . . 25.0 114.351 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.25 -36.93 78.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.259 0.481 . . . . 25.0 109.971 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -83.71 -32.56 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -61.91 -46.17 90.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.77 -55.12 48.2 Favored Pre-proline 0 N--CA 1.475 0.807 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -70.73 -14.2 32.84 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 114.366 -3.289 . . . . 25.0 115.146 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -68.83 -26.09 64.99 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.584 -0.697 . . . . 25.0 110.839 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' HB2' ' HZ1' ' A' ' 94' ' ' LYS . 42.7 mt -64.74 92.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.071 1.508 . . . . 50.0 115.071 -177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.65 59.5 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 173.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.78 134.98 35.11 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HZ1' ' HB2' ' A' ' 91' ' ' LEU . 62.3 mmtt -126.74 134.5 50.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.85 143.88 29.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.826 -1.916 . . . . 25.0 105.826 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -124.19 138.82 54.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.45 158.16 20.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.273 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 m -129.88 127.06 39.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.46 131.19 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -122.68 107.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -100.44 118.73 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -90.34 121.62 32.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.87 135.62 41.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.572 -2.381 . . . . 25.0 104.572 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.41 103.32 20.07 Favored Pre-proline 0 N--CA 1.435 -1.208 1 N-CA-C 95.835 -5.617 . . . . 50.0 95.835 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.3 -20.26 16.45 Favored 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 106.823 -8.318 . . . . 25.0 114.336 -168.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -64.18 -17.73 63.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.416 -1.266 . . . . 25.0 114.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -122.31 -2.16 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.024 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.36 15.72 75.11 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-O 121.734 0.63 . . . . 25.0 111.932 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.0 p -103.34 166.98 10.1 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 123.745 0.818 . . . . 25.0 108.876 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.2 ptt? -148.1 157.6 43.6 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.4 m -143.76 140.04 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.492 0.717 . . . . 25.0 110.356 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.48 117.32 7.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 121.614 0.721 . . . . 50.0 109.686 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -89.26 -32.07 17.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.287 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -152.58 140.3 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.622 0.248 . . . . 25.0 111.541 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.57 124.95 26.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 104.391 -2.448 . . . . 25.0 104.391 170.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -140.71 149.51 42.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -147.71 175.9 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.199 -2.149 . . . . 25.0 105.199 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -76.46 145.52 39.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.233 -0.889 . . . . 25.0 109.707 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -149.92 129.52 6.49 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.8 -171.12 1.04 Allowed 'Trans proline' 0 CA--C 1.534 0.48 0 O-C-N 122.162 0.559 . . . . 25.0 110.885 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.81 -18.2 4.85 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 112.094 -0.403 . . . . 25.0 112.094 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -140.22 79.53 21.42 Favored Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.1 159.07 41.42 Favored 'Trans proline' 0 C--O 1.238 0.516 0 C-N-CA 118.61 -0.46 . . . . 25.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.25 165.74 29.33 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 118.148 -0.768 . . . . 25.0 111.424 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -137.32 113.59 10.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.6 153.72 37.7 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 102.597 -3.112 . . . . 50.0 102.597 170.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.85 136.07 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.817 -1.549 . . . . 50.0 106.817 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.7 -5.2 82.77 Favored Glycine 0 C--O 1.226 -0.383 0 C-N-CA 121.151 -0.547 . . . . 25.0 113.535 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.11 174.21 34.69 Favored Glycine 0 C--O 1.237 0.342 0 N-CA-C 111.682 -0.567 . . . . 25.0 111.682 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 48.7 Cg_endo -82.21 159.82 17.74 Favored 'Trans proline' 0 C--N 1.342 0.22 0 N-CA-C 115.325 1.24 . . . . 25.0 115.325 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -148.88 148.68 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.19 142.8 27.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 103.726 -2.694 . . . . 25.0 103.726 172.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.12 158.1 30.03 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.75 155.65 39.74 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 m -65.04 -18.71 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 50.0 111.942 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.65 -23.77 45.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.109 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.18 143.11 34.56 Favored 'General case' 0 CA--C 1.453 -2.75 1 N-CA-C 122.036 4.087 . . . . 25.0 122.036 178.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.09 -40.69 77.43 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 112.218 -2.265 . . . . 25.0 111.774 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.76 -21.38 78.92 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.55 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.73 -49.21 14.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 117.919 0.86 . . . . 50.0 110.469 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -52.02 -43.16 63.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.532 0.568 . . . . 25.0 112.532 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.67 69.27 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -33.79 21.67 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -57.22 -62.5 1.72 Allowed 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.888 -0.782 . . . . 50.0 108.888 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -70.13 -32.11 69.96 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 123.919 0.762 . . . . 25.0 110.207 -171.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.41 -47.83 74.91 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.17 68.3 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.1 t -70.8 -41.41 77.39 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.5 -38.31 96.13 Favored Glycine 0 C--O 1.208 -1.509 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -175.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.3 -27.45 25.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 122.363 1.078 . . . . 25.0 111.807 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -87.28 -62.98 1.38 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 123.919 1.818 . . . . 25.0 115.108 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -84.47 -51.18 7.11 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 112.028 -2.351 . . . . 25.0 113.297 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.7 -32.12 69.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 -179.411 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.88 -32.11 70.28 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -75.49 151.68 37.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.54 -0.754 . . . . 25.0 109.528 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -87.67 52.13 2.4 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 25.0 111.785 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -70.62 129.53 39.43 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.437 0.637 . . . . 25.0 109.628 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.7 mtp -69.86 -14.48 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.01 156.86 39.22 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 105.008 -2.219 . . . . 25.0 105.008 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -79.6 112.34 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.294 -1.362 . . . . 25.0 109.959 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -88.37 140.43 29.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 103.222 -2.881 . . . . 25.0 103.222 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -147.2 146.91 30.0 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.245 -0.889 . . . . 25.0 112.08 -172.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.64 102.24 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 102.911 -2.996 . . . . 25.0 102.911 171.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.98 -48.28 58.82 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 122.107 0.956 . . . . 25.0 111.07 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -147.61 127.64 13.67 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 113.7 -1.591 . . . . 25.0 108.537 -171.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.83 126.87 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -85.11 -45.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -145.22 145.82 31.46 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.99 103.14 4.56 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -140.09 166.08 25.63 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.769 0.795 . . . . 25.0 111.869 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 145.9 26.53 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.927 -1.033 . . . . 25.0 112.563 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 60.7 tt0 -98.71 139.36 34.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 178.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.89 129.45 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.9 -151.37 13.03 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 107.912 -2.075 . . . . 25.0 107.912 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.61 66.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 117.49 0.645 . . . . 25.0 110.26 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.26 153.03 18.44 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 104.473 -3.451 . . . . 25.0 104.473 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.2 123.12 68.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 105.749 -1.945 . . . . 50.0 105.749 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.23 120.37 32.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.62 134.43 34.7 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.419 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.5 m-85 -122.99 113.8 19.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.61 -2.367 . . . . 25.0 104.61 175.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -113.64 133.7 55.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 123.535 1.636 . . . . 25.0 108.978 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 49' ' ' VAL 0.264 0.9 OUTLIER -145.9 140.47 21.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 N-CA-C 121.036 3.717 . . . . 50.0 121.036 -165.581 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -90.26 134.87 34.02 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 112.915 -1.948 . . . . 25.0 107.788 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.58 151.76 26.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.64 1.209 . . . . 25.0 113.466 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.18 168.39 40.39 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 103.432 -3.867 . . . . 25.0 103.432 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -113.27 136.47 52.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.518 -1.66 . . . . 25.0 106.518 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -116.25 146.98 41.94 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.107 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.7 p -88.75 -24.44 22.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.546 1.313 . . . . 25.0 114.546 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.0 m -99.79 152.42 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -107.36 171.45 7.37 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.183 0.992 . . . . 25.0 111.163 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -23.48 64.49 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.017 1.858 . . . . 25.0 116.017 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.262 0.8 OUTLIER -107.56 -15.19 14.66 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -73.61 153.49 89.58 Favored Pre-proline 0 C--N 1.297 -1.675 0 CA-C-N 111.601 -2.545 . . . . 25.0 108.863 172.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.2 170.8 17.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 120.483 0.789 . . . . 25.0 113.796 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 63.28 44.2 5.74 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.8 -16.86 59.93 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.966 1.099 . . . . 50.0 113.966 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.34 -42.11 23.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.133 0.968 . . . . 25.0 109.305 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -79.44 -43.7 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -172.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.32 -60.8 9.06 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 119.655 -0.818 . . . . 25.0 111.37 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -66.87 -24.79 46.0 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 115.021 -2.853 . . . . 25.0 114.751 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.35 -40.08 92.93 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.548 0.613 . . . . 25.0 110.549 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.57 -30.44 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -62.03 -47.67 83.69 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.078 -0.389 . . . . 25.0 111.299 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -54.23 -56.0 30.94 Favored Pre-proline 0 N--CA 1.471 0.621 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.13 -22.04 47.81 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 115.453 -2.565 . . . . 25.0 115.845 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.186 -0.321 . . . . 25.0 111.583 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 84.65 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.234 -0.654 . . . . 50.0 109.234 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -33.79 70.59 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -86.03 90.1 8.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -74.67 110.14 8.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.893 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 133.28 35.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.2 139.92 53.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.93 0.871 . . . . 25.0 110.344 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.9 m -127.41 157.67 39.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.359 -1.291 . . . . 25.0 110.52 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.3 m -129.88 131.96 46.25 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.95 131.06 53.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.54 114.59 19.61 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.88 122.82 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.91 124.78 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.78 133.89 47.09 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.16 103.25 24.61 Favored Pre-proline 0 N--CA 1.433 -1.311 1 N-CA-C 97.365 -5.05 . . . . 50.0 97.365 -171.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.57 -21.58 14.69 Favored 'Trans proline' 0 N--CA 1.452 -0.953 1 C-N-CA 106.528 -8.514 . . . . 25.0 115.14 -169.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.21 -29.13 65.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.652 -0.704 . . . . 25.0 112.884 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -111.23 -3.45 15.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.841 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.18 75.7 Favored Glycine 0 N--CA 1.461 0.327 0 CA-C-O 121.917 0.732 . . . . 25.0 111.694 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 p -103.8 167.43 9.79 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 123.926 0.89 . . . . 25.0 109.225 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.416 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.2 ptt? -148.27 156.97 43.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 169.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.7 m -141.72 139.46 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.288 0.635 . . . . 25.0 109.77 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.61 114.0 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -85.21 -31.33 23.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.195 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -153.41 140.99 19.88 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.846 0.355 . . . . 25.0 111.667 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 p -135.65 121.94 20.41 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 102.843 -3.021 . . . . 25.0 102.843 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -134.89 148.44 50.09 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 104.883 -2.266 . . . . 25.0 104.883 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.8 175.26 11.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -126.88 151.99 47.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 174.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.25 143.25 55.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 CA-C-O 117.908 -1.044 . . . . 25.0 109.586 179.644 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 119.475 -0.297 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -148.48 147.05 24.12 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.4 166.12 30.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 117.512 -1.192 . . . . 25.0 112.67 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.82 -179.33 32.18 Favored Glycine 0 C--O 1.237 0.3 0 C-N-CA 121.268 -0.491 . . . . 25.0 113.043 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -139.48 155.2 71.99 Favored Pre-proline 0 N--CA 1.468 0.463 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.11 147.59 73.52 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 116.057 -2.162 . . . . 25.0 111.827 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.64 154.29 44.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 117.997 -0.869 . . . . 25.0 113.471 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -159.83 171.36 19.61 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.48 150.87 20.51 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.205 -1.405 . . . . 50.0 107.205 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -142.91 133.09 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 N-CA-C 105.509 -2.034 . . . . 50.0 105.509 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.28 -66.67 2.57 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 114.923 0.729 . . . . 25.0 114.923 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.83 -176.76 46.16 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.26 147.13 20.3 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 116.339 -1.974 . . . . 25.0 113.309 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.7 ptm -148.88 148.71 30.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.21 150.55 24.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.015 -2.957 . . . . 25.0 103.015 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.47 156.0 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 104.756 -2.313 . . . . 25.0 104.756 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -75.77 155.57 35.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.67 -19.24 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -72.22 -30.65 65.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.971 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.295 1.0 OUTLIER -52.42 135.42 33.41 Favored 'General case' 0 CA--C 1.442 -3.185 0 N-CA-C 121.264 3.802 . . . . 25.0 121.264 176.493 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.43 -33.78 76.3 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 113.417 -1.719 . . . . 25.0 111.727 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.16 -22.89 72.9 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.146 -0.934 . . . . 25.0 111.441 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -88.73 -49.79 13.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 CA-C-N 117.916 0.858 . . . . 50.0 110.115 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -50.55 -47.39 57.76 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.199 0.454 . . . . 25.0 111.76 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -27.87 69.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.47 -32.06 22.47 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.9 -57.3 10.23 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 107.918 -1.141 . . . . 50.0 107.918 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.78 -35.23 79.6 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.484 0.49 . . . . 25.0 109.822 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.04 -48.91 79.56 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.99 79.55 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.283 1.1 t -73.97 -38.6 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.29 0 N-CA-C 106.635 -1.617 . . . . 50.0 106.635 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.32 -36.21 93.09 Favored Glycine 0 C--O 1.211 -1.285 0 N-CA-C 107.946 -2.062 . . . . 25.0 107.946 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -85.26 -28.9 25.04 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 122.481 1.134 . . . . 25.0 112.134 -176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.22 -62.91 1.39 Allowed 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.53 -52.0 6.46 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.172 -2.286 . . . . 25.0 112.015 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -71.77 -29.98 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.966 -178.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.58 -32.06 67.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -73.17 151.26 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -87.09 54.59 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.593 0.711 . . . . 25.0 111.141 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.39 128.93 37.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.491 0.662 . . . . 25.0 110.285 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.5 mmt -72.82 -17.28 61.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.625 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.99 165.14 12.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.66 112.52 18.92 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -113.94 134.95 54.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -150.48 164.55 35.65 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.74 102.08 2.73 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 102.657 -3.09 . . . . 25.0 102.657 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -48.48 81.52 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -157.57 136.0 11.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.891 -1.05 . . . . 25.0 108.75 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -83.18 130.59 35.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.6 t -87.33 -45.87 16.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -146.5 151.02 36.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.76 118.98 8.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.51 168.89 24.07 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.23 0.538 . . . . 25.0 111.777 -175.727 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.52 48.68 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.074 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -125.65 108.92 12.02 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.791 -2.3 . . . . 25.0 104.791 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.34 138.54 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -180.0 -151.98 10.45 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.92 67.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 117.56 0.68 . . . . 25.0 109.773 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.48 155.55 20.52 Favored Glycine 0 N--CA 1.449 -0.483 1 N-CA-C 101.827 -4.509 . . . . 25.0 101.827 173.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.88 132.1 71.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 CA-C-N 119.111 1.456 . . . . 50.0 108.985 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -123.53 129.45 51.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.234 0.54 . . . . 25.0 110.123 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.33 132.95 42.57 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.551 -2.389 . . . . 25.0 104.551 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.8 m-85 -123.19 119.63 30.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.005 -1.479 . . . . 25.0 107.005 177.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -122.84 133.58 54.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -121.49 132.79 54.92 Favored 'General case' 0 CA--C 1.482 -1.635 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 49' ' ' VAL 0.296 0.9 OUTLIER -144.66 139.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 121.413 3.857 . . . . 50.0 121.413 -165.809 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -90.19 137.51 32.29 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 113.08 -1.873 . . . . 25.0 108.535 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -116.44 149.0 40.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.4 1.095 . . . . 25.0 113.699 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.25 172.15 42.75 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 103.834 -3.706 . . . . 25.0 103.834 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -121.02 140.43 51.93 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.6 p -101.78 146.79 27.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.702 0.763 . . . . 25.0 112.511 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.7 p -87.97 1.03 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.77 138.12 38.24 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.554 -1.203 . . . . 25.0 108.387 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 p -137.21 173.28 11.85 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.32 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -60.86 -23.63 65.3 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.148 1.536 . . . . 25.0 115.148 176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.267 0.7 OUTLIER -104.55 -14.79 15.54 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 118.451 2.76 . . . . 25.0 118.451 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -55.07 149.77 23.13 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-N 112.808 -1.997 . . . . 25.0 111.476 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.86 -19.48 20.81 Favored 'Trans proline' 0 C--O 1.219 -0.463 0 N-CA-C 118.325 2.394 . . . . 25.0 118.325 -172.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.75 77.57 1.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.513 0.597 . . . . 25.0 112.417 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.72 -13.76 62.38 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 116.367 1.988 . . . . 50.0 116.367 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.64 -42.33 11.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.491 1.138 . . . . 25.0 111.164 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -83.19 -34.98 25.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.847 -1.07 . . . . 25.0 113.607 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.34 -57.97 21.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 120.163 -0.615 . . . . 25.0 111.038 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.76 -22.78 42.78 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 116.578 -1.814 . . . . 25.0 113.573 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.78 -44.54 96.68 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -84.65 -29.65 25.52 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -47.27 84.49 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.712 -0.618 . . . . 25.0 110.627 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.99 -58.27 9.99 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.34 -26.22 48.61 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.978 -2.881 . . . . 25.0 115.309 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.55 107.34 0.66 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.947 0.88 . . . . 50.0 112.893 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 174.46 7.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 103.047 -2.945 . . . . 25.0 103.047 169.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 56.09 51.99 11.08 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.151 0.977 . . . . 25.0 111.133 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -75.42 110.26 9.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 153.07 22.26 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -123.98 124.17 42.0 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.666 1.222 . . . . 25.0 108.307 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 79.4 m -114.52 160.03 19.7 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.459 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.9 m -128.54 129.92 46.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -123.72 132.08 53.74 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.29 -0.868 . . . . 25.0 108.843 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -126.01 118.14 24.72 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.32 119.71 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -90.43 125.35 35.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.34 134.03 47.42 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.74 103.24 27.16 Favored Pre-proline 0 N--CA 1.434 -1.27 1 N-CA-C 96.684 -5.302 . . . . 50.0 96.684 -171.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -75.55 -19.15 17.0 Favored 'Trans proline' 0 N--CA 1.451 -0.998 1 C-N-CA 106.656 -8.43 . . . . 25.0 115.183 -168.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -61.78 -29.23 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -109.8 -3.46 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.399 0.142 . . . . 25.0 111.265 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.98 17.4 78.56 Favored Glycine 0 C--O 1.228 -0.228 0 CA-C-O 121.992 0.773 . . . . 25.0 111.423 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -103.05 167.32 9.9 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 123.573 0.749 . . . . 25.0 109.058 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 25.5 ptp -148.29 157.09 43.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 170.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -144.47 141.95 29.94 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.359 0.664 . . . . 25.0 109.894 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.63 115.25 5.61 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.809 -0.812 . . . . 50.0 108.809 175.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -91.5 -26.4 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.673 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -150.97 141.19 22.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.78 114.92 8.33 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 102.977 -2.971 . . . . 25.0 102.977 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -137.58 154.05 49.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.32 175.0 10.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -127.51 151.95 48.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 25.0 111.942 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -86.41 151.43 23.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 172.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.338 -1.315 . . . . 25.0 108.524 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.04 84.82 7.87 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.85 -6.06 18.01 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 116.776 1.799 . . . . 25.0 116.776 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 175.71 29.28 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-O 122.291 0.94 . . . . 25.0 114.299 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -152.85 58.75 2.55 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 114.404 -0.898 . . . . 25.0 111.239 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.48 147.48 46.43 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 116.93 -1.58 . . . . 25.0 113.798 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.38 168.66 19.77 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-O 121.089 0.37 . . . . 25.0 112.226 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -154.24 150.02 27.6 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.19 33.12 4.15 Favored 'General case' 0 CA--C 1.45 -2.866 0 CA-C-O 122.135 0.969 . . . . 50.0 109.606 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.58 153.43 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.629 0 N-CA-C 102.336 -3.209 . . . . 50.0 102.336 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.91 177.82 46.85 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.126 -1.035 . . . . 25.0 113.104 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.91 178.6 48.11 Favored Glycine 0 C--O 1.244 0.731 0 N-CA-C 103.616 -3.793 . . . . 25.0 103.616 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.51 139.63 23.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 115.556 -2.496 . . . . 25.0 112.513 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -149.0 148.73 30.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.392 . . . . 25.0 109.944 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 173.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.55 156.96 33.12 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -71.56 156.8 39.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.717 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.75 -19.43 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.272 0.558 . . . . 50.0 110.742 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.44 -28.03 60.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.186 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -54.39 136.86 43.32 Favored 'General case' 0 CA--C 1.439 -3.324 0 N-CA-C 120.183 3.401 . . . . 25.0 120.183 178.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -67.26 -27.48 67.24 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 113.341 -1.754 . . . . 25.0 112.05 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.51 -23.53 77.52 Favored Glycine 0 C--O 1.225 -0.42 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.491 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -88.47 -46.66 15.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-N 117.707 0.754 . . . . 50.0 110.637 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -51.26 -44.75 61.85 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -27.03 69.0 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 113.591 0.96 . . . . 25.0 113.591 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -33.82 21.69 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.49 -63.02 1.3 Allowed 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.37 -33.49 71.5 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.022 0.826 . . . . 25.0 110.538 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.28 -47.23 77.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.1 74.84 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.285 1.2 t -71.87 -40.44 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.418 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.09 -37.0 94.21 Favored Glycine 0 N--CA 1.435 -1.375 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 -175.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -85.51 -28.07 25.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.138 0.97 . . . . 25.0 111.813 -176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -87.06 -62.65 1.45 Allowed 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.307 1.966 . . . . 25.0 116.307 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.31 -53.0 5.78 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.627 -2.079 . . . . 25.0 111.94 -172.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -69.87 -30.86 68.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.039 -178.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.16 65.59 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 t -73.92 153.06 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.57 -0.741 . . . . 25.0 109.86 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -87.07 53.05 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.525 0.679 . . . . 25.0 110.131 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -67.01 128.9 38.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.4 mtm -75.61 -14.76 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.012 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -114.03 164.94 13.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.02 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -85.65 112.65 21.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -125.61 144.55 50.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.95 163.55 38.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.4 105.16 2.08 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 101.716 -3.438 . . . . 25.0 101.716 166.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.71 -49.9 64.54 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.879 0.847 . . . . 25.0 109.137 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.44 130.21 9.23 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.784 -1.553 . . . . 25.0 109.397 -170.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.491 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -76.87 132.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.91 -48.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -144.8 145.48 31.66 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.46 114.85 9.82 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -149.34 163.74 36.86 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-O 121.54 0.686 . . . . 25.0 111.747 -173.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 153.86 35.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.37 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 136.09 39.19 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 103.937 -2.616 . . . . 25.0 103.937 175.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 mm -124.43 132.29 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.08 -153.64 24.62 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 109.979 -1.248 . . . . 25.0 109.979 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -21.4 64.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.234 0.54 . . . . 25.0 110.9 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.67 135.37 8.35 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 104.295 -3.522 . . . . 25.0 104.295 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.72 131.06 66.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 105.137 -2.172 . . . . 50.0 105.137 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -137.31 117.88 13.89 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.868 -0.52 . . . . 25.0 110.02 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -91.64 134.86 34.33 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.0 m-85 -123.19 118.88 28.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.97 117.54 23.48 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -111.64 132.15 54.78 Favored 'General case' 0 CA--C 1.489 -1.399 0 CA-C-O 123.743 1.735 . . . . 25.0 109.052 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 49' ' ' VAL 0.253 0.9 OUTLIER -144.56 141.16 23.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 120.349 3.463 . . . . 50.0 120.349 -166.654 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -92.98 135.21 34.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.23 -1.805 . . . . 25.0 107.134 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.0 mp -113.73 154.22 27.69 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.958 0.885 . . . . 25.0 111.161 175.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.42 147.11 10.34 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 105.459 -3.056 . . . . 25.0 105.459 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -77.91 136.06 37.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.355 -1.72 . . . . 25.0 106.355 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -92.76 144.84 24.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.971 0.415 . . . . 25.0 111.129 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -75.05 -19.47 60.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 25.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.7 m -105.2 165.84 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.559 . . . . 25.0 112.389 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 165.52 13.98 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 123.266 1.508 . . . . 25.0 113.151 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.64 -19.4 63.75 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 111.949 -2.387 . . . . 25.0 115.433 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.273 0.8 OUTLIER -108.67 -15.08 14.49 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 117.825 2.528 . . . . 25.0 117.825 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -60.46 153.37 60.65 Favored Pre-proline 0 C--N 1.3 -1.562 0 CA-C-N 112.623 -2.081 . . . . 25.0 114.128 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.4 18.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.79 2.327 . . . . 25.0 117.453 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -140.55 40.55 1.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.003 1.112 . . . . 25.0 114.003 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -12.43 38.84 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.389 1.996 . . . . 50.0 116.389 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -90.73 -42.06 10.92 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.701 -0.799 . . . . 25.0 110.557 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -81.59 -37.19 28.04 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.03 -54.87 46.26 Favored Pre-proline 0 C--O 1.216 -0.698 0 C-N-CA 119.659 -0.816 . . . . 25.0 110.481 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -64.72 -24.61 61.94 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 114.614 -3.124 . . . . 25.0 114.152 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -38.17 89.87 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 174.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -81.45 -19.65 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.301 0.572 . . . . 25.0 112.205 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -77.15 -31.45 55.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -55.1 -54.64 48.04 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.43 -23.36 44.08 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 113.391 -3.94 . . . . 25.0 114.557 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -76.69 -11.52 59.86 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 98.48 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.246 -0.65 . . . . 50.0 109.246 176.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -76.75 -12.4 59.98 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.136 0.493 . . . . 25.0 110.204 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -130.71 132.01 45.11 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.643 -3.095 . . . . 25.0 102.643 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -96.57 141.79 29.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.13 130.36 52.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.17 139.98 53.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.279 1.038 . . . . 25.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.36 157.41 36.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.962 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.3 m -129.84 121.32 26.51 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -114.41 134.37 55.04 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -130.5 123.01 28.69 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.9 mt -117.62 118.07 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -90.39 125.99 35.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.244 -1.762 . . . . 25.0 106.244 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.15 136.04 44.51 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.46 103.31 34.92 Favored Pre-proline 0 N--CA 1.433 -1.288 1 N-CA-C 96.556 -5.35 . . . . 50.0 96.556 -170.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.06 -21.66 15.51 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 106.694 -8.404 . . . . 25.0 114.757 -169.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -61.73 -18.38 59.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -123.58 1.19 8.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.645 0.26 . . . . 25.0 110.703 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.41 14.96 69.89 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-O 122.055 0.808 . . . . 25.0 112.188 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -101.57 167.46 10.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.7 ptt? -148.32 157.56 43.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.0 m -140.38 138.94 35.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.045 0.538 . . . . 25.0 109.946 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.45 111.83 3.27 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 107.851 -1.166 . . . . 50.0 107.851 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -84.15 -27.88 27.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.346 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -155.33 144.84 21.18 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 25.9 p -144.38 114.42 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.194 -2.15 . . . . 25.0 105.194 172.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -131.21 148.92 52.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -151.09 170.45 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.774 1.027 . . . . 25.0 113.774 -173.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -122.31 160.26 25.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.51 -1.223 . . . . 25.0 107.878 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.67 112.63 2.33 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.673 1.361 . . . . 25.0 114.673 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.66 -0.686 . . . . 25.0 111.318 177.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -68.45 153.51 95.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.76 148.94 59.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 116.142 -2.105 . . . . 25.0 112.26 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.58 32.93 3.8 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.852 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -154.58 148.5 18.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.23 0.515 . . . . 25.0 109.693 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.07 166.19 29.65 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 O-C-N 122.196 0.577 . . . . 25.0 110.819 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.07 -12.21 25.69 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 117.494 -1.204 . . . . 25.0 113.671 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -132.82 111.41 11.08 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -101.56 63.6 0.96 Allowed 'General case' 0 CA--C 1.453 -2.785 0 CA-C-O 123.191 1.472 . . . . 50.0 109.909 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.06 141.63 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.445 0 CA-C-N 111.442 -2.617 . . . . 50.0 104.252 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.11 174.74 47.02 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.179 -1.169 . . . . 25.0 110.179 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.41 -177.69 46.49 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 104.627 -3.389 . . . . 25.0 104.627 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 97.9 Cg_endo -73.6 138.29 26.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 115.596 -2.47 . . . . 25.0 112.928 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -148.78 150.71 33.56 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 147.08 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 159.41 29.34 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -70.98 156.49 39.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 m -64.72 -17.74 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.517 0.675 . . . . 50.0 111.732 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.65 -16.05 40.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.344 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.259 0.6 OUTLIER -57.99 146.39 32.73 Favored 'General case' 0 CA--C 1.455 -2.691 0 N-CA-C 120.985 3.698 . . . . 25.0 120.985 175.036 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -55.5 -42.68 74.78 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 112.52 -2.127 . . . . 25.0 111.693 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.65 -21.32 78.84 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 114.815 -1.084 . . . . 25.0 113.246 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.7 t -88.54 -48.57 14.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 118.353 1.077 . . . . 50.0 110.541 177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -52.63 -42.41 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.78 -25.24 67.16 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -34.44 22.09 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 107.429 -1.322 . . . . 25.0 107.429 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' O ' HG22 ' A' ' 31' ' ' VAL . 22.4 mt -59.44 -63.0 1.46 Allowed 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 109.465 -0.569 . . . . 50.0 109.465 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -71.01 -24.53 62.39 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -70.99 -43.91 67.02 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.356 -0.538 . . . . 25.0 109.6 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.83 89.47 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 27' ' ' LEU . 1.2 t -82.74 -22.68 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.252 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.506 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -59.85 -37.48 92.59 Favored Glycine 0 C--O 1.198 -2.095 0 N-CA-C 103.71 -3.756 . . . . 25.0 103.71 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.41 -28.09 25.35 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 123.335 1.54 . . . . 25.0 113.413 -176.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -85.64 -62.83 1.44 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 123.402 1.572 . . . . 25.0 114.239 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.434 HD21 ' HA ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -83.76 -51.93 6.82 Favored 'General case' 0 CA--C 1.476 -1.883 1 N-CA-C 122.75 4.352 . . . . 25.0 122.75 174.818 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -64.44 -26.07 68.29 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.14 -32.17 26.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.8 m -96.13 159.5 14.93 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.277 1.584 . . . . 25.0 115.277 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -97.98 52.53 1.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.14 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -68.43 128.11 35.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.58 -12.77 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.053 -0.522 . . . . 25.0 111.053 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -123.87 164.22 19.68 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -88.59 112.41 23.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.121 -1.432 . . . . 25.0 108.673 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.44 128.59 41.61 Favored 'General case' 0 C--O 1.18 -2.557 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 165.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -155.49 171.22 20.29 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -164.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.41 102.21 0.07 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.98 -48.36 30.93 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-O 122.041 0.924 . . . . 25.0 110.322 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -149.62 131.1 14.79 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.665 -1.607 . . . . 25.0 108.58 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -82.76 130.28 36.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -87.74 -45.4 16.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -143.98 146.07 32.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.9 103.21 4.15 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -139.59 168.05 20.7 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-O 121.96 0.886 . . . . 25.0 113.028 -175.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 143.81 30.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.683 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 66.9 tt0 -98.95 134.78 41.32 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.06 134.04 66.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.93 -148.52 8.32 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 106.226 -2.75 . . . . 25.0 106.226 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.16 68.18 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 117.906 0.853 . . . . 25.0 110.12 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.72 163.18 20.72 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 104.798 -3.321 . . . . 25.0 104.798 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.9 t -122.97 128.24 75.08 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 N-CA-C 106.176 -1.787 . . . . 50.0 106.176 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 123.82 31.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.921 -0.487 . . . . 25.0 110.443 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.69 134.77 34.42 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.164 -1.421 . . . . 25.0 107.164 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.421 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 97.5 m-85 -123.27 113.5 18.97 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.01 116.73 25.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -109.08 134.39 51.75 Favored 'General case' 0 CA--C 1.49 -1.355 0 CA-C-O 123.497 1.617 . . . . 25.0 108.732 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 49' ' ' VAL 0.268 0.9 OUTLIER -145.83 140.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 121.324 3.824 . . . . 50.0 121.324 -165.638 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.01 134.92 34.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.191 -1.822 . . . . 25.0 108.629 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.88 155.6 26.52 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 122.486 1.136 . . . . 25.0 110.761 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.24 163.79 35.44 Favored Glycine 0 N--CA 1.434 -1.478 0 N-CA-C 105.808 -2.917 . . . . 25.0 105.808 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -91.64 129.81 37.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 p -108.9 146.24 34.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.52 0.676 . . . . 25.0 111.845 -174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -76.88 -20.99 55.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.989 -1.005 . . . . 25.0 112.727 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.4 m -126.72 160.05 31.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.449 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 6.5 p -95.46 172.56 8.0 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.003 -1.453 . . . . 25.0 110.214 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -64.91 -14.59 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.2 -14.46 14.18 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 118.583 2.809 . . . . 25.0 118.583 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.449 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.9 mm100 -50.9 153.46 2.99 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 112.361 -2.2 . . . . 25.0 112.982 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.04 -7.34 20.59 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 N-CA-C 118.05 2.289 . . . . 25.0 118.05 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.48 57.28 1.81 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.36 -10.64 17.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.63 1.715 . . . . 50.0 115.63 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -42.36 16.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.739 1.257 . . . . 25.0 108.757 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -84.41 -37.48 21.42 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 114.452 -1.249 . . . . 25.0 114.242 -172.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.04 -55.37 46.15 Favored Pre-proline 0 C--O 1.216 -0.706 0 C-N-CA 119.695 -0.802 . . . . 25.0 111.44 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.14 -26.23 25.99 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 114.404 -3.264 . . . . 25.0 114.064 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.1 -33.17 72.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 118.431 0.56 . . . . 25.0 110.521 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -83.54 -41.72 17.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.582 0.706 . . . . 25.0 111.65 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.46 -42.76 82.49 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -59.95 -51.07 83.21 Favored Pre-proline 0 N--CA 1.467 0.409 0 C-N-CA 118.657 -1.217 . . . . 25.0 113.778 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.72 -20.44 35.0 Favored 'Trans proline' 0 CA--C 1.539 0.75 1 C-N-CA 112.9 -4.267 . . . . 25.0 114.126 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -66.14 -37.03 84.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 86.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 50.0 110.838 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 174.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -91.31 80.03 5.59 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.22 112.45 8.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.56 140.83 33.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -123.94 137.55 54.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.893 0.854 . . . . 25.0 109.157 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.9 m -129.19 156.6 43.68 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.417 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.4 m -129.85 130.04 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.03 130.06 55.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -127.65 113.26 15.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.4 mt -107.84 122.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.1 124.0 35.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.5 135.8 41.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 104.651 -2.352 . . . . 25.0 104.651 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.51 103.15 19.3 Favored Pre-proline 0 N--CA 1.436 -1.153 1 N-CA-C 96.044 -5.539 . . . . 50.0 96.044 -173.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.36 -21.62 15.02 Favored 'Trans proline' 0 N--CA 1.451 -0.983 1 C-N-CA 106.832 -8.312 . . . . 25.0 115.004 -167.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -60.22 -29.25 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.32 -0.855 . . . . 25.0 113.296 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -109.53 -4.32 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.492 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.54 77.1 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-O 121.71 0.617 . . . . 25.0 111.711 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -103.3 167.18 9.98 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.426 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.5 ptt? -148.08 157.61 43.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 170.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -139.89 138.89 36.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.259 0.623 . . . . 25.0 109.468 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.58 115.53 5.88 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.066 -1.457 . . . . 50.0 107.066 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.9 t -83.35 -35.2 25.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.449 0.642 . . . . 25.0 109.829 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -150.67 141.04 22.37 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.922 -0.581 . . . . 25.0 112.293 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 128.14 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 171.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -140.02 147.19 40.04 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -129.46 156.23 44.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -85.31 147.2 26.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 119.051 -0.499 . . . . 25.0 110.629 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 46.64 59.47 15.93 Favored Pre-proline 0 N--CA 1.477 0.894 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.1 -18.58 14.33 Favored 'Trans proline' 0 C--N 1.348 0.533 0 N-CA-C 118.273 2.374 . . . . 25.0 118.273 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.32 -11.98 34.79 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.441 -0.885 . . . . 25.0 113.804 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -62.21 129.38 92.16 Favored Pre-proline 0 C--O 1.239 0.516 0 O-C-N 122.475 -0.427 . . . . 25.0 110.227 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.36 156.38 50.5 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 117.228 -1.381 . . . . 25.0 111.754 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.56 158.8 39.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 117.199 -1.4 . . . . 25.0 111.487 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -62.76 134.11 55.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.6 mt -94.96 98.99 11.09 Favored 'General case' 0 CA--C 1.477 -1.86 0 CA-C-O 124.166 1.936 . . . . 50.0 113.051 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.27 -32.08 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 CA-C-N 110.182 -3.19 . . . . 50.0 109.464 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.19 5.43 89.66 Favored Glycine 0 N--CA 1.461 0.316 0 C-N-CA 120.987 -0.625 . . . . 25.0 112.86 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.74 -167.02 17.35 Favored Glycine 0 C--O 1.241 0.587 0 N-CA-C 108.672 -1.771 . . . . 25.0 108.672 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 92.0 Cg_endo -72.91 146.91 42.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 CA-C-N 119.217 1.508 . . . . 25.0 113.02 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.02 149.05 30.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.31 150.52 24.28 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 103.832 -2.655 . . . . 25.0 103.832 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . . . -126.65 150.44 48.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 173.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -69.69 155.84 39.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.72 -21.52 29.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.77 -30.21 69.6 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.97 -1.013 . . . . 25.0 111.991 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 0.5 OUTLIER -49.97 135.45 20.14 Favored 'General case' 0 CA--C 1.447 -2.996 1 N-CA-C 122.312 4.19 . . . . 25.0 122.312 176.108 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.27 -31.39 72.53 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 112.967 -1.924 . . . . 25.0 111.877 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -23.35 78.19 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.343 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -88.28 -54.02 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.577 0.688 . . . . 50.0 111.408 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -52.02 -42.24 62.88 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.225 0.466 . . . . 25.0 112.254 -175.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -30.09 71.22 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.784 -0.767 . . . . 25.0 113.067 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.29 -34.63 21.86 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.64 -61.13 2.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 107.352 -1.351 . . . . 50.0 107.352 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.65 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.84 0.713 . . . . 25.0 109.528 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.77 -49.53 70.38 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.18 84.45 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.282 1.1 t -74.8 -38.43 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 N-CA-C 105.37 -2.085 . . . . 50.0 105.37 -174.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.73 92.43 Favored Glycine 0 C--O 1.207 -1.56 0 N-CA-C 108.114 -1.994 . . . . 25.0 108.114 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -85.48 -29.08 24.57 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.919 0.866 . . . . 25.0 112.015 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -87.24 -62.9 1.4 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 123.848 1.785 . . . . 25.0 115.304 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -84.55 -51.38 6.92 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 111.764 -2.471 . . . . 25.0 112.248 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -72.21 -30.16 64.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.788 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.59 -31.86 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -80.3 157.09 26.5 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.063 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -98.64 53.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.27 0.557 . . . . 25.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.06 132.17 51.03 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.367 0.604 . . . . 25.0 109.565 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.2 ptm -63.82 -20.12 65.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.445 ' HB2' ' HD3' ' A' ' 70' ' ' ARG . 37.3 m-85 -131.39 164.91 24.65 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 104.635 -2.357 . . . . 25.0 104.635 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 74' ' ' THR . 73.0 m-70 -79.75 112.43 17.03 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 111.901 -176.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -101.51 143.22 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -156.33 163.58 39.33 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.71 102.58 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 101.79 -3.411 . . . . 25.0 101.79 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.78 -48.2 55.5 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-O 121.87 0.843 . . . . 25.0 110.571 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.18 130.85 14.03 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 113.78 -1.555 . . . . 25.0 109.172 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.49 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.5 125.72 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 177.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -83.7 -43.25 17.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -143.61 138.31 28.94 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -136.76 105.61 5.9 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 161.15 38.67 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 121.531 0.681 . . . . 25.0 110.996 -173.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -151.33 156.31 40.5 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.796 -178.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.8 tt0 -98.78 135.72 39.84 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 177.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.9 mm -120.49 130.79 74.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.79 -153.11 24.25 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 109.866 -1.294 . . . . 25.0 109.866 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.91 -14.67 55.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.21 0.529 . . . . 25.0 111.54 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.02 138.42 9.77 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 103.896 -3.682 . . . . 25.0 103.896 174.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.99 128.55 73.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -137.25 116.76 12.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.864 -0.522 . . . . 25.0 110.078 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -93.52 134.46 35.76 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 122.56 0.344 . . . . 25.0 110.096 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -123.34 117.44 25.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.1 117.73 29.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.117 -1.809 . . . . 25.0 106.117 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -113.88 128.65 56.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 123.794 1.759 . . . . 25.0 107.147 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -140.86 141.23 32.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 120.27 3.433 . . . . 50.0 120.27 -165.022 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -98.7 132.94 43.7 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 112.728 -2.033 . . . . 25.0 107.973 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.9 mp -108.59 151.91 25.48 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 122.343 1.068 . . . . 25.0 113.131 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.2 152.71 24.75 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 103.275 -3.93 . . . . 25.0 103.275 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HD3' ' HB2' ' A' ' 42' ' ' TYR . 44.0 mtt85 -105.88 113.08 26.41 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -88.5 146.11 25.37 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.9 p -80.96 -5.11 57.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.018 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.6 p -99.91 161.47 13.59 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.527 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -135.3 175.48 9.54 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.197 -0.91 . . . . 25.0 113.255 -174.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -57.84 -26.1 61.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.299 0.8 OUTLIER -107.77 -14.82 14.71 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 116.054 1.872 . . . . 25.0 116.054 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' HB2' ' H ' ' A' ' 74' ' ' THR . 74.5 mm-40 -79.46 153.12 76.24 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 111.839 -2.437 . . . . 25.0 109.418 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -79.56 178.45 7.34 Favored 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 122.641 2.228 . . . . 25.0 115.295 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 59.49 45.48 13.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.987 1.847 . . . . 25.0 115.987 173.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.66 -10.33 35.18 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.421 1.637 . . . . 50.0 115.421 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -41.94 12.77 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.217 1.008 . . . . 25.0 108.934 176.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -83.91 -34.29 24.55 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.15 -57.26 28.41 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.535 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.11 -24.52 27.97 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 115.709 -2.394 . . . . 25.0 113.583 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -65.99 -29.56 69.96 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 118.205 0.457 . . . . 25.0 110.816 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -84.77 -32.55 23.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 25.0 111.326 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -46.37 88.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 122.465 0.306 . . . . 25.0 111.269 -175.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.56 -57.67 17.77 Favored Pre-proline 0 N--CA 1.468 0.452 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.95 -19.63 39.82 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 114.447 -3.235 . . . . 25.0 114.501 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.95 -20.29 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.73 -0.606 . . . . 25.0 111.054 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.17 91.41 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.716 1.376 . . . . 50.0 114.716 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -32.44 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.148 -2.168 . . . . 25.0 105.148 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -76.61 133.45 39.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.185 -2.524 . . . . 25.0 104.185 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -123.61 109.78 14.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.328 0.513 . . . . 25.0 109.847 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.22 126.75 55.56 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -123.12 138.43 54.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.387 1.089 . . . . 25.0 111.098 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 82.1 m -124.57 155.86 38.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.273 -1.33 . . . . 25.0 111.314 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 t -129.78 120.98 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -115.66 128.86 56.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -127.14 124.86 40.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.8 mt -117.2 118.51 58.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -90.24 127.29 36.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -106.25 134.3 49.59 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 103.36 31.99 Favored Pre-proline 0 N--CA 1.433 -1.279 1 N-CA-C 96.965 -5.198 . . . . 50.0 96.965 -169.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.24 -22.44 14.4 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.422 -8.585 . . . . 25.0 114.617 -168.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -62.81 -16.65 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.46 0.08 8.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.691 0.282 . . . . 25.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.06 16.41 70.69 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-O 122.073 0.818 . . . . 25.0 112.24 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -106.08 167.19 9.97 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 123.753 0.821 . . . . 25.0 109.428 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.422 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.6 ptt? -148.29 157.48 43.51 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 169.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.0 m -141.05 140.34 34.23 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.145 0.578 . . . . 25.0 109.898 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.2 tp -65.49 111.75 3.25 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.807 -1.183 . . . . 50.0 107.807 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.5 t -84.92 -31.87 23.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.52 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.5 145.73 28.04 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.9 t -148.17 116.42 6.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.82 -2.289 . . . . 25.0 104.82 172.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.99 151.15 47.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.225 -1.769 . . . . 25.0 106.225 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.86 17.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -125.13 136.63 53.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -86.29 151.84 23.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.791 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 173.378 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 p -158.01 166.17 17.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.75 171.72 17.26 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 117.068 -1.488 . . . . 25.0 110.617 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.95 56.44 3.11 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.549 -0.357 . . . . 25.0 113.306 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -126.68 78.42 72.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 123.302 0.641 . . . . 25.0 109.692 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.01 153.82 42.01 Favored 'Trans proline' 0 C--O 1.241 0.652 0 C-N-CA 115.986 -2.209 . . . . 25.0 110.965 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.86 146.21 58.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.332 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -128.83 109.69 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.536 -0.912 . . . . 25.0 108.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.2 90.59 8.45 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 123.667 1.698 . . . . 50.0 109.929 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.8 137.76 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 110.613 -2.994 . . . . 50.0 106.513 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.62 -136.6 31.74 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.46 -159.72 33.98 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 115.159 -0.52 . . . . 25.0 113.001 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.23 152.73 75.72 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.631 1.215 . . . . 25.0 114.666 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 ptm -135.89 142.54 44.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.23 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.39 140.1 31.79 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.72 165.69 11.83 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.9 p -83.19 154.13 24.4 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 m -69.37 -20.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 119.233 0.924 . . . . 50.0 108.884 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.03 -20.83 59.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 25.0 111.728 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.23 140.57 21.09 Favored 'General case' 0 CA--C 1.446 -3.054 0 N-CA-C 121.006 3.706 . . . . 25.0 121.006 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -58.42 -39.97 81.21 Favored 'General case' 0 N--CA 1.413 -2.293 0 CA-C-N 112.708 -2.042 . . . . 25.0 110.353 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.83 -23.44 78.0 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 114.853 -1.067 . . . . 25.0 112.348 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.8 t -87.7 -52.57 11.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 CA-C-N 117.986 0.893 . . . . 50.0 111.201 178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -51.18 -45.35 61.77 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 119.054 0.843 . . . . 25.0 112.809 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -28.1 69.36 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.44 -35.03 21.51 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -64.23 -57.58 9.06 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.83 -33.35 75.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.77 -48.68 75.97 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.41 76.3 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.281 1.1 t -72.09 -40.54 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 105.531 -2.025 . . . . 50.0 105.531 -173.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.423 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.9 -37.11 94.37 Favored Glycine 0 C--O 1.211 -1.322 0 N-CA-C 108.832 -1.707 . . . . 25.0 108.832 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -85.32 -28.3 25.34 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 122.161 0.981 . . . . 25.0 112.104 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.83 -62.92 1.4 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.551 1.685 . . . . 25.0 115.551 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.89 -52.76 6.09 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.1 -2.318 . . . . 25.0 112.404 -171.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 5.4 tmtt? -70.53 -29.86 66.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.702 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.41 -32.0 64.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 t -77.63 155.1 31.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.256 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -91.99 54.87 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.467 0.651 . . . . 25.0 110.152 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.65 130.17 42.6 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.1 mtt -69.17 -18.77 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.639 -0.709 . . . . 25.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.87 163.05 17.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -88.18 112.67 23.0 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 m -119.28 144.8 46.59 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.78 166.84 30.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.29 102.33 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 171.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.63 -47.21 33.38 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.107 0.956 . . . . 25.0 111.556 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -144.54 121.86 11.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.999 -1.455 . . . . 25.0 109.252 -170.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -82.4 129.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.396 -1.335 . . . . 50.0 107.396 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.2 t -88.05 -43.78 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -145.54 144.0 30.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.297 -0.41 . . . . 25.0 110.807 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 114.72 7.21 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.35 165.32 32.36 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.701 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.74 139.29 53.25 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -99.51 129.71 45.7 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.818 -2.29 . . . . 25.0 104.818 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.8 mm -107.46 142.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.99 -158.54 31.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 106.815 -2.514 . . . . 25.0 106.815 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.52 66.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.721 0.761 . . . . 25.0 109.393 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.53 158.34 19.03 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 104.746 -3.342 . . . . 25.0 104.746 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.56 136.13 60.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 107.378 -1.341 . . . . 50.0 107.378 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -131.84 126.4 34.18 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.797 -0.565 . . . . 25.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.76 111.21 22.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -98.78 114.3 26.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.28 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.75 136.8 53.57 Favored 'General case' 0 CA--C 1.479 -1.766 0 CA-C-O 123.285 1.517 . . . . 25.0 107.504 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 141.97 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 120.403 3.483 . . . . 50.0 120.403 -166.375 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.52 130.1 37.4 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.055 -1.884 . . . . 25.0 108.777 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.85 150.38 25.64 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 122.309 1.052 . . . . 25.0 111.835 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.75 164.11 36.73 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 104.673 -3.371 . . . . 25.0 104.673 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -101.7 136.41 41.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 104.668 -2.345 . . . . 25.0 104.668 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -107.3 152.55 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.337 1.236 . . . . 25.0 114.337 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.8 p -83.56 4.13 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.992 -1.004 . . . . 25.0 113.356 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.2 p -129.06 164.82 22.43 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.364 1.078 . . . . 25.0 113.383 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 p -114.69 174.24 6.07 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-N 114.337 -1.301 . . . . 25.0 109.191 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -58.98 -22.29 60.14 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 115.689 1.737 . . . . 25.0 115.689 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.306 0.8 OUTLIER -107.28 -14.6 14.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 119.884 3.29 . . . . 25.0 119.884 -179.188 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -55.54 145.66 48.33 Favored Pre-proline 0 C--N 1.298 -1.631 0 CA-C-N 111.462 -2.608 . . . . 25.0 111.493 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -83.38 10.06 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.766 2.311 . . . . 25.0 116.233 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -124.06 31.37 5.83 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 -173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -10.46 7.5 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 118.704 2.853 . . . . 50.0 118.704 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -87.81 -41.92 12.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.81 1.186 . . . . 25.0 109.418 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -77.71 -36.61 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.022 -0.99 . . . . 25.0 112.41 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.09 -64.53 2.23 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 119.177 -0.439 . . . . 25.0 111.646 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -69.1 -26.78 30.34 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 114.54 -3.173 . . . . 25.0 113.738 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.73 -40.61 84.27 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 118.21 0.459 . . . . 25.0 111.193 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -84.81 -31.96 23.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.82 -43.17 76.08 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.43 -52.83 70.14 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.84 -15.4 29.78 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 114.849 -2.968 . . . . 25.0 114.545 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -76.94 -15.32 59.7 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.84 -0.538 . . . . 25.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.32 90.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 50.0 112.013 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -74.35 -32.06 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -96.97 128.53 44.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 103.217 -2.883 . . . . 25.0 103.217 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -110.72 110.11 20.63 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.61 137.88 31.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.14 138.61 54.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -129.17 154.92 46.28 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.15 -0.932 . . . . 25.0 110.565 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 m -129.94 130.41 45.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -125.79 128.04 47.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -123.39 111.28 16.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.875 -0.602 . . . . 25.0 109.528 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.79 118.31 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -90.52 123.88 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.95 135.53 42.25 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.259 -2.497 . . . . 25.0 104.259 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.88 103.57 25.77 Favored Pre-proline 0 N--CA 1.433 -1.301 1 N-CA-C 96.2 -5.482 . . . . 50.0 96.2 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.72 -22.36 13.66 Favored 'Trans proline' 0 N--CA 1.452 -0.92 1 C-N-CA 106.509 -8.528 . . . . 25.0 114.964 -167.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -59.19 -32.64 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 25.0 112.66 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -106.03 -2.39 22.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.63 17.37 74.79 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-O 121.985 0.769 . . . . 25.0 111.835 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -104.62 167.19 9.89 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.937 0.895 . . . . 25.0 108.976 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.416 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 10.1 ptm -148.15 157.45 43.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -146.1 141.32 27.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.129 0.572 . . . . 25.0 110.25 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.0 115.75 6.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -89.4 -32.9 17.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.877 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -150.43 140.48 22.04 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.328 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 p -141.83 122.98 14.68 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.815 -2.291 . . . . 25.0 104.815 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -137.34 152.1 49.34 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.86 170.74 17.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.846 0.355 . . . . 25.0 111.701 -176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.57 155.04 34.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -68.15 143.22 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.998 -1.001 . . . . 25.0 109.318 -179.667 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 119.301 -0.381 . . . . 25.0 110.23 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -71.51 143.56 87.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -74.14 156.85 46.82 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 116.922 -1.585 . . . . 25.0 111.127 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.69 173.56 47.13 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.317 -0.468 . . . . 25.0 112.966 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -145.22 148.15 36.86 Favored Pre-proline 0 N--CA 1.473 0.692 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.0 162.47 41.53 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 117.392 -1.272 . . . . 25.0 110.356 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.03 110.36 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 117.584 -1.144 . . . . 25.0 113.716 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -148.33 137.82 22.13 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 mt -83.67 50.58 1.83 Allowed 'General case' 0 CA--C 1.458 -2.592 0 CA-C-O 122.041 0.924 . . . . 50.0 112.074 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.27 139.57 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 CA-C-N 113.941 -1.481 . . . . 50.0 109.133 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.65 24.73 52.67 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 118.139 2.015 . . . . 25.0 118.139 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 -121.84 5.68 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 118.515 1.157 . . . . 25.0 114.537 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 96.2 Cg_endo -71.34 141.32 38.74 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-N 119.731 1.766 . . . . 25.0 115.644 -176.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -137.79 147.57 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.32 143.25 26.56 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.09 162.16 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.1 0.476 . . . . 25.0 110.151 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -77.76 159.25 29.18 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 m -65.31 -19.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.659 0.266 . . . . 50.0 111.219 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -86.4 -7.24 58.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.767 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.306 1.1 mp0 -63.69 141.04 58.91 Favored 'General case' 0 CA--C 1.449 -2.934 0 N-CA-C 117.889 2.551 . . . . 25.0 117.889 170.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CD ' ' H ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -52.3 -46.59 66.01 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-N 111.365 -2.652 . . . . 25.0 112.506 -174.412 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' H ' ' CD ' ' A' ' 21' ' ' GLU . . . -70.44 -23.14 77.75 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.445 -0.798 . . . . 25.0 112.418 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -82.13 -53.19 12.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 118.155 0.977 . . . . 50.0 108.68 176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -49.45 -48.27 47.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -30.06 70.7 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.68 -27.98 24.99 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.6 -59.57 4.13 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 108.104 -1.073 . . . . 50.0 108.104 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -65.66 -35.83 81.91 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.44 -48.65 80.2 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.38 79.28 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.0 OUTLIER -71.85 -40.88 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -173.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.43 -36.69 93.72 Favored Glycine 0 N--CA 1.436 -1.336 0 N-CA-C 108.758 -1.737 . . . . 25.0 108.758 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -85.61 -28.0 25.09 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.163 0.982 . . . . 25.0 111.895 -176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -87.06 -63.08 1.36 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.629 1.715 . . . . 25.0 115.629 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -84.17 -53.4 5.54 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 112.255 -2.248 . . . . 25.0 111.626 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.66 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.078 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.21 65.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -75.62 153.67 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.172 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.05 53.72 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.79 0.805 . . . . 25.0 108.909 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -66.04 131.28 45.83 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.81 -12.77 60.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.283 0.564 . . . . 25.0 110.71 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -121.01 165.96 14.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.55 112.4 22.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.057 -0.657 . . . . 25.0 109.998 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -110.97 139.37 46.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -144.34 166.11 26.01 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 102.08 4.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 101.146 -3.649 . . . . 25.0 101.146 170.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.46 -46.47 82.97 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.709 0.766 . . . . 25.0 110.438 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -157.53 130.5 7.6 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.882 -1.508 . . . . 25.0 108.858 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 66' ' ' VAL . 2.2 t -80.35 131.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.6 t -92.9 -44.07 13.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.919 -1.037 . . . . 50.0 108.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -141.48 148.51 39.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 116.11 6.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.47 167.1 29.9 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 152.05 32.77 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.991 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.0 tt0 -98.67 129.59 45.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.76 129.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.92 -165.05 37.41 Favored Glycine 0 C--O 1.227 -0.338 0 N-CA-C 109.513 -1.435 . . . . 25.0 109.513 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.3 -20.25 65.96 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.199 0.524 . . . . 25.0 110.407 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.76 136.57 9.75 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 105.036 -3.225 . . . . 25.0 105.036 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.48 134.78 57.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.31 123.33 20.27 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.53 134.14 38.73 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.442 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.6 m-85 -123.22 114.4 20.21 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.39 132.35 54.33 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -119.76 133.68 55.52 Favored 'General case' 0 CA--C 1.474 -1.953 0 CA-C-O 123.517 1.627 . . . . 25.0 106.959 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -142.53 138.98 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 110.014 -3.267 . . . . 50.0 118.851 -168.862 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.7 137.16 32.57 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.887 -1.961 . . . . 25.0 108.048 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.9 mp -113.72 155.69 25.14 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.208 1.004 . . . . 25.0 113.629 174.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.57 134.29 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 106.279 -2.728 . . . . 25.0 106.279 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -91.24 142.48 27.67 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 117.949 0.875 . . . . 25.0 111.366 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -115.98 153.4 31.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.127 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -93.01 0.07 57.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.09 155.8 17.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.668 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 9.1 p -141.43 178.7 7.25 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -175.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -59.55 -24.01 63.35 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 115.77 1.767 . . . . 25.0 115.77 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER -106.9 -14.46 14.96 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 117.2 2.296 . . . . 25.0 117.2 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.668 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.2 mm100 -64.08 153.53 84.91 Favored Pre-proline 0 C--N 1.298 -1.65 0 CA-C-N 112.101 -2.318 . . . . 25.0 111.251 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.72 163.56 36.95 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 121.32 1.347 . . . . 25.0 114.136 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 56.12 56.02 6.27 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 116.649 2.092 . . . . 25.0 116.649 173.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.35 -10.75 26.49 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 114.269 1.211 . . . . 50.0 114.269 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -41.95 17.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.983 1.373 . . . . 25.0 109.308 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -84.26 -36.37 22.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 114.356 -1.293 . . . . 25.0 113.551 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -60.02 -56.69 33.05 Favored Pre-proline 0 C--O 1.218 -0.581 0 C-N-CA 119.464 -0.894 . . . . 25.0 111.521 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.24 -27.13 41.4 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 115.2 -2.733 . . . . 25.0 114.554 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -57.37 -40.05 77.33 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -84.76 -19.6 32.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.674 0.991 . . . . 25.0 113.674 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.81 -55.88 28.75 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 118.58 0.627 . . . . 25.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -51.09 -55.91 24.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.26 -21.03 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 114.068 -3.488 . . . . 25.0 114.898 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -70.05 -39.23 75.84 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.537 -0.727 . . . . 25.0 109.989 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.85 83.12 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.347 1.07 . . . . 50.0 113.656 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -81.76 -12.45 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 168.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -82.95 73.3 10.0 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.859 -1.534 . . . . 25.0 106.859 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -76.82 109.93 11.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.49 143.39 49.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -124.35 145.94 49.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.25 1.024 . . . . 25.0 112.282 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.0 m -127.58 154.86 44.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.093 -1.412 . . . . 25.0 109.576 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -129.9 131.01 45.89 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.51 127.48 49.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.31 115.48 22.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 108.709 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 33.9 mt -113.65 116.93 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -90.27 123.8 34.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.05 135.22 45.13 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 104.894 -2.262 . . . . 25.0 104.894 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.41 103.27 30.26 Favored Pre-proline 0 N--CA 1.433 -1.32 1 N-CA-C 95.589 -5.708 . . . . 50.0 95.589 -171.234 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.24 -23.53 13.33 Favored 'Trans proline' 0 N--CA 1.454 -0.829 1 C-N-CA 106.543 -8.505 . . . . 25.0 113.484 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.2 -19.93 63.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.671 -1.149 . . . . 25.0 112.954 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -119.16 1.1 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.718 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.94 27.93 72.84 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-O 122.4 1.0 . . . . 25.0 112.527 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.08 167.67 16.42 Favored 'General case' 0 CA--C 1.497 -1.076 0 C-N-CA 124.15 0.98 . . . . 25.0 108.82 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.422 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 23.0 ptt? -148.26 157.46 43.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.3 m -142.84 140.15 31.17 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.058 0.543 . . . . 25.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.0 113.39 4.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -84.01 -32.71 24.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.013 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -152.98 140.34 19.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.886 0.374 . . . . 25.0 111.112 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 127.19 27.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 103.073 -2.936 . . . . 25.0 103.073 171.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -138.85 148.17 43.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.98 170.79 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -136.5 143.02 43.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 175.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.37 149.82 24.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -145.9 145.5 25.27 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.28 -178.81 4.9 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 120.524 0.816 . . . . 25.0 113.076 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.37 -142.34 15.76 Favored Glycine 0 C--O 1.221 -0.701 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 54.37 62.71 8.2 Favored Pre-proline 0 N--CA 1.478 0.952 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -66.6 153.78 76.75 Favored 'Trans proline' 0 C--O 1.248 1.004 0 C-N-CA 116.059 -2.161 . . . . 25.0 111.103 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.9 147.93 75.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 O-C-N 122.208 0.583 . . . . 25.0 112.417 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.77 156.13 19.98 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.584 0.23 . . . . 25.0 111.441 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.56 67.01 1.52 Allowed 'General case' 0 CA--C 1.456 -2.638 0 CA-C-O 122.649 1.214 . . . . 50.0 108.499 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -148.8 137.51 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.171 0 CA-C-N 112.744 -2.026 . . . . 50.0 110.257 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.95 -176.39 42.42 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.399 -0.429 . . . . 25.0 113.805 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.11 -98.36 2.04 Favored Glycine 0 CA--C 1.517 0.196 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.38 126.57 13.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 114.595 -3.137 . . . . 25.0 111.695 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -148.95 149.71 31.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.464 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 133.57 39.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.792 -2.67 . . . . 25.0 103.792 167.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.22 165.38 11.42 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.023 -2.954 . . . . 25.0 103.023 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.68 155.39 26.81 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 104.684 -2.339 . . . . 25.0 104.684 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.1 m -67.17 -16.43 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.586 0.232 . . . . 50.0 111.14 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.8 -11.77 43.95 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.644 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.3 0.5 OUTLIER -52.41 140.27 22.64 Favored 'General case' 0 CA--C 1.441 -3.219 0 N-CA-C 119.706 3.225 . . . . 25.0 119.706 170.244 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.52 -41.07 80.14 Favored 'General case' 0 N--CA 1.411 -2.396 0 CA-C-N 112.517 -2.128 . . . . 25.0 110.153 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.41 -23.4 75.09 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 114.603 -1.181 . . . . 25.0 112.739 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.7 -53.14 10.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 118.648 1.224 . . . . 50.0 111.223 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -50.7 -45.24 58.25 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 118.934 0.788 . . . . 25.0 112.82 -176.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.54 70.56 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.53 -29.29 24.32 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.714 -1.217 . . . . 25.0 107.714 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.51 -58.11 7.3 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 109.473 -0.565 . . . . 50.0 109.473 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.45 -32.99 73.39 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.13 -44.96 86.96 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.928 -0.768 . . . . 25.0 108.928 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.27 78.11 Favored 'General case' 0 C--O 1.208 -1.099 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.259 1.0 OUTLIER -77.24 -36.62 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.189 0 N-CA-C 105.327 -2.101 . . . . 50.0 105.327 -175.261 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.49 -35.12 91.62 Favored Glycine 0 C--O 1.199 -2.082 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -85.46 -28.59 24.94 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 122.015 0.912 . . . . 25.0 111.849 -176.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.31 -63.11 1.35 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.84 1.793 . . . . 25.0 115.84 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -84.56 -53.62 5.28 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.222 -2.263 . . . . 25.0 111.654 -171.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.41 -31.37 70.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.824 -0.625 . . . . 25.0 110.135 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.07 -32.0 66.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.3 m -79.81 159.64 26.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.218 -0.901 . . . . 25.0 110.324 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.48 58.17 4.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.062 0.934 . . . . 25.0 109.679 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -65.5 128.95 37.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -77.38 -12.7 59.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.743 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -126.04 163.79 22.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.939 -0.764 . . . . 25.0 108.939 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.99 112.39 20.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 m -118.31 147.91 43.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -149.5 158.19 43.95 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.717 -0.393 . . . . 25.0 111.983 -175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.96 102.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 102.735 -3.061 . . . . 25.0 102.735 167.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.91 -45.2 75.06 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 121.935 0.874 . . . . 25.0 111.073 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.43 136.44 8.47 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.975 -1.466 . . . . 25.0 108.185 -171.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' HA ' HG21 ' A' ' 66' ' ' VAL . 2.2 t -82.32 131.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.994 0.902 . . . . 50.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -86.33 -45.71 16.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.19 -0.914 . . . . 50.0 108.629 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -143.75 139.91 29.67 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.37 119.32 12.64 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.176 -2.157 . . . . 25.0 105.176 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.42 168.12 26.51 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.799 -173.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.42 164.81 25.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.505 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.21 137.44 47.58 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 171.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -127.56 137.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.8 -156.36 28.04 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.136 -1.986 . . . . 25.0 108.136 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.01 66.98 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.44 0.62 . . . . 25.0 109.73 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.78 137.11 10.31 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 105.352 -3.099 . . . . 25.0 105.352 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.13 134.66 60.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 106.93 -1.508 . . . . 50.0 106.93 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.73 132.66 46.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.823 -0.548 . . . . 25.0 110.425 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -107.47 113.82 27.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -102.64 117.06 33.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -119.62 110.74 17.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -104.87 130.14 53.07 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.135 -2.172 . . . . 25.0 105.135 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG21 ' HA ' ' A' ' 49' ' ' VAL 0.347 0.9 OUTLIER -140.65 134.57 33.7 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.3 0 N-CA-C 121.757 3.984 . . . . 50.0 121.757 -165.469 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -90.21 137.37 32.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 112.961 -1.927 . . . . 25.0 106.95 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mp -114.37 156.76 23.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.75 172.03 43.54 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 104.538 -3.425 . . . . 25.0 104.538 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -109.7 142.49 40.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 104.331 -2.47 . . . . 25.0 104.331 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.8 p -99.89 142.77 30.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.765 -0.374 . . . . 25.0 111.401 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -73.44 -25.22 60.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.14 169.51 10.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.808 0.813 . . . . 25.0 111.865 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.599 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -132.73 178.05 7.16 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.007 -0.997 . . . . 25.0 110.834 -173.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -58.62 -25.17 62.39 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 116.213 1.931 . . . . 25.0 116.213 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.304 0.8 OUTLIER -108.41 -14.86 14.58 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 115.969 1.84 . . . . 25.0 115.969 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.599 ' HB2' ' H ' ' A' ' 74' ' ' THR . 88.4 mm-40 -81.75 153.59 70.34 Favored Pre-proline 0 C--N 1.298 -1.672 0 CA-C-N 111.505 -2.588 . . . . 25.0 107.859 176.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.55 173.91 13.69 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 121.663 1.575 . . . . 25.0 115.31 -173.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 57.67 49.81 11.83 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 173.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.0 -14.15 32.6 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.608 1.336 . . . . 50.0 114.608 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 -42.29 13.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.171 0.986 . . . . 25.0 109.604 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.99 -38.27 22.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.73 -57.72 20.5 Favored Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 119.697 -0.801 . . . . 25.0 110.929 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.39 -23.51 44.15 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 114.367 -3.289 . . . . 25.0 114.201 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.25 -37.16 86.15 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 118.187 0.449 . . . . 25.0 110.064 173.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -84.25 -30.07 25.97 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.68 -44.45 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.421 0.288 . . . . 25.0 110.816 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.51 -58.52 13.73 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.79 -12.34 32.64 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 114.962 -2.892 . . . . 25.0 115.327 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.15 -24.59 62.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.736 -0.602 . . . . 25.0 110.593 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.58 89.73 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.374 1.083 . . . . 50.0 112.597 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -74.02 -30.29 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.26 130.57 43.5 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -100.48 119.96 39.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.28 120.68 9.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.259 0.349 . . . . 25.0 110.924 -173.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -124.28 144.6 49.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 97.4 m -113.97 160.04 19.26 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.597 1.559 . . . . 25.0 108.747 170.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 65.8 m -129.84 120.54 25.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -114.24 132.12 56.25 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -125.24 109.03 12.33 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.1 mt -97.97 119.18 45.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -90.39 125.22 35.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 105.42 -2.067 . . . . 25.0 105.42 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.33 135.26 44.26 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 104.44 -2.43 . . . . 25.0 104.44 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -103.79 102.8 33.2 Favored Pre-proline 0 CA--C 1.491 -1.298 1 N-CA-C 97.055 -5.165 . . . . 50.0 97.055 -171.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.95 -24.98 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.035 1 C-N-CA 106.592 -8.472 . . . . 25.0 114.02 -172.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.29 -22.69 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.913 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -119.59 2.85 11.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.98 29.02 74.28 Favored Glycine 0 N--CA 1.465 0.599 0 CA-C-O 122.586 1.103 . . . . 25.0 112.21 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.01 167.38 15.4 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.147 -1.026 . . . . 25.0 108.275 -174.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.4 ptt? -148.23 157.57 43.57 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 170.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -149.7 143.84 25.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.079 0.551 . . . . 25.0 110.207 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.44 115.63 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.743 0.782 . . . . 50.0 109.79 175.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -92.22 -29.3 16.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.457 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.92 145.11 28.49 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.95 116.47 6.19 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.26 153.19 43.58 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 101.189 -3.634 . . . . 25.0 101.189 177.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -148.04 -179.57 7.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.886 0.85 . . . . 25.0 112.732 -177.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.77 160.28 15.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.063 -1.88 . . . . 25.0 111.193 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.66 149.6 46.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.284 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.018 -0.991 . . . . 25.0 112.185 -178.591 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 118.996 -0.526 . . . . 25.0 109.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -70.58 131.34 88.09 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 102.671 -3.085 . . . . 25.0 102.671 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.12 141.7 36.67 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 115.515 -2.523 . . . . 25.0 115.251 -174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 164.86 27.4 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 109.007 -1.637 . . . . 25.0 109.007 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.26 146.88 10.84 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.248 1.024 . . . . 25.0 112.906 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.15 172.47 16.02 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 121.918 1.745 . . . . 25.0 111.395 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.83 153.29 78.68 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 116.481 -1.879 . . . . 25.0 111.866 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -66.73 -20.68 66.02 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.8 mt 43.8 52.65 6.41 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 124.291 1.996 . . . . 50.0 114.62 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.24 131.29 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 111.543 -2.571 . . . . 50.0 107.487 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.98 -18.07 9.82 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 115.878 -0.601 . . . . 25.0 112.365 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.91 -163.53 14.97 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.778 -0.725 . . . . 25.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.89 151.14 86.54 Favored 'Trans proline' 0 C--N 1.346 0.4 0 CA-C-N 118.952 1.376 . . . . 25.0 110.718 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.56 138.67 47.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.22 148.78 29.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 171.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.68 159.31 31.12 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.562 -2.385 . . . . 25.0 104.562 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 p -82.67 160.17 22.48 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.9 -13.29 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.603 0.716 . . . . 50.0 110.489 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -86.54 -22.7 26.19 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.879 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.9 mp0 -55.01 138.49 43.74 Favored 'General case' 0 CA--C 1.457 -2.633 1 N-CA-C 121.915 4.043 . . . . 25.0 121.915 172.336 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.16 -41.74 84.46 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 112.038 -2.346 . . . . 25.0 110.818 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.14 75.47 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.687 -1.142 . . . . 25.0 112.472 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.28 -47.29 15.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 118.197 0.999 . . . . 50.0 109.462 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -53.93 -43.22 69.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 118.855 0.752 . . . . 25.0 112.593 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.22 68.55 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.848 -0.741 . . . . 25.0 112.652 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.38 -34.46 21.75 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.53 -62.66 1.69 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -68.62 -31.12 70.05 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 123.851 0.719 . . . . 25.0 109.796 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -45.3 84.59 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.268 1.2 t -76.68 -37.0 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.225 0 N-CA-C 105.551 -2.018 . . . . 50.0 105.551 -174.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.65 -36.74 93.69 Favored Glycine 0 C--O 1.207 -1.555 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.25 -28.26 25.49 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.407 1.099 . . . . 25.0 111.95 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -86.77 -62.91 1.4 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 116.166 1.913 . . . . 25.0 116.166 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.26 -52.07 6.52 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.848 -1.978 . . . . 25.0 112.199 -172.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.8 -30.89 67.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.97 -178.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.43 -32.08 66.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -78.36 152.9 32.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.437 -0.802 . . . . 25.0 110.43 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -90.03 56.72 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.687 0.756 . . . . 25.0 108.999 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.27 129.48 39.89 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.41 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.9 mmm -69.54 -15.69 63.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.193 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -126.45 163.24 23.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -79.7 112.56 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m -121.8 145.24 48.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.093 -1.818 . . . . 25.0 106.093 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -156.29 166.62 32.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.98 102.43 3.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 170.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.28 -48.35 67.96 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.92 0.867 . . . . 25.0 111.851 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.83 130.7 13.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.022 -1.445 . . . . 25.0 108.894 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -82.85 129.49 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.92 -41.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.467 -0.788 . . . . 50.0 109.032 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -144.9 142.78 30.17 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.12 112.46 6.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.03 168.78 24.14 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 121.785 0.803 . . . . 25.0 113.022 -176.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 134.68 40.33 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.637 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -98.57 122.06 41.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 105.569 -2.011 . . . . 25.0 105.569 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.04 141.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.56 -167.09 39.93 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 107.147 -2.381 . . . . 25.0 107.147 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -24.56 67.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.83 0.815 . . . . 25.0 109.49 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.95 138.4 11.7 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 103.458 -3.857 . . . . 25.0 103.458 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 132.31 58.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 107.49 -1.3 . . . . 50.0 107.49 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -126.65 126.23 43.22 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.861 -0.524 . . . . 25.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -93.25 130.73 38.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 104.035 -2.58 . . . . 25.0 104.035 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.0 m-85 -118.84 119.28 33.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.4 116.09 18.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 123.551 0.532 . . . . 25.0 109.664 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -112.24 140.52 46.87 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-O 123.435 1.588 . . . . 25.0 108.681 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.14 141.05 19.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 120.267 3.432 . . . . 50.0 120.267 -166.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -90.7 131.65 36.26 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.494 -1.684 . . . . 25.0 109.365 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -98.29 157.59 16.09 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.348 1.07 . . . . 25.0 110.927 177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.51 177.47 48.26 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 103.373 -3.891 . . . . 25.0 103.373 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -118.55 139.73 51.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -103.07 145.63 29.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.0 p -74.04 -23.82 59.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.379 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.88 167.33 10.59 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -93.77 164.86 12.96 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.133 1.444 . . . . 25.0 110.964 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -60.2 -26.62 66.51 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.398 -2.183 . . . . 25.0 115.193 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -103.17 -14.55 16.33 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 -178.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.7 151.92 60.11 Favored Pre-proline 0 C--N 1.298 -1.639 0 CA-C-N 112.995 -1.911 . . . . 25.0 115.94 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.58 17.46 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.719 2.279 . . . . 25.0 112.807 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -108.32 8.54 27.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -173.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.13 -10.6 2.87 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 118.599 2.815 . . . . 50.0 118.599 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.6 -42.32 10.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 120.27 1.395 . . . . 25.0 112.07 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -87.92 -25.26 23.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.176 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.84 -59.69 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.386 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.81 -23.34 26.11 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.254 -3.364 . . . . 25.0 113.741 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.89 -36.49 77.07 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.426 0.557 . . . . 25.0 110.444 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -83.55 -42.67 16.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.596 0.712 . . . . 25.0 111.481 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.28 -41.13 77.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -172.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.39 -55.79 36.08 Favored Pre-proline 0 C--O 1.239 0.527 0 CA-C-N 119.327 0.967 . . . . 25.0 111.395 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.07 -19.8 34.18 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 114.022 -3.519 . . . . 25.0 114.858 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -71.46 -33.04 68.98 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.096 -0.377 . . . . 25.0 111.406 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 105.17 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.686 0.755 . . . . 50.0 112.506 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.14 -32.34 33.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -76.66 132.02 39.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 104.08 -2.563 . . . . 25.0 104.08 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -126.73 133.1 50.95 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.823 -2.288 . . . . 25.0 104.823 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.57 140.29 31.67 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -124.26 139.65 53.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.645 0.736 . . . . 25.0 112.245 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.2 m -112.79 159.24 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.993 -1.003 . . . . 25.0 111.171 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -129.68 115.31 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.151 -0.931 . . . . 25.0 108.721 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -109.04 134.13 52.07 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -130.38 113.66 14.61 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.7 mt -101.66 120.36 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -90.21 126.38 35.8 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.2 135.01 46.47 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.55 103.57 24.82 Favored Pre-proline 0 CA--C 1.491 -1.306 1 N-CA-C 97.314 -5.069 . . . . 50.0 97.314 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.44 -20.08 16.35 Favored 'Trans proline' 0 N--CA 1.451 -1.007 1 C-N-CA 106.488 -8.542 . . . . 25.0 115.016 -169.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.89 -28.34 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -115.38 -2.04 12.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.42 16.19 75.47 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 111.461 -0.656 . . . . 25.0 111.461 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -100.34 167.29 10.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.405 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.8 ptp -148.15 157.4 43.48 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 170.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -144.01 141.37 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.455 0.702 . . . . 25.0 110.102 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.67 115.74 6.16 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.946 -1.131 . . . . 50.0 107.946 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -90.94 -31.11 16.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.449 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -147.67 142.28 26.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 t -144.97 114.45 7.15 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 103.699 -2.704 . . . . 25.0 103.699 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -133.67 146.65 51.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.6 m -148.08 171.46 15.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 25.0 111.739 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -123.65 151.64 42.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -71.93 140.64 49.31 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.276 1.214 . . . . 25.0 114.276 -175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.566 -0.73 . . . . 25.0 109.591 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.5 0.19 . . . . 25.0 110.656 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -145.17 166.74 16.67 Favored Pre-proline 0 C--O 1.239 0.513 0 N-CA-C 101.863 -3.384 . . . . 25.0 101.863 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -67.4 147.02 76.84 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 114.612 -3.125 . . . . 25.0 114.035 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.67 142.63 30.22 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.078 -0.964 . . . . 25.0 112.709 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -165.27 161.0 14.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 103.966 -2.605 . . . . 25.0 103.966 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -66.73 154.8 73.21 Favored 'Trans proline' 0 C--O 1.238 0.515 0 C-N-CA 116.049 -2.167 . . . . 25.0 111.846 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 146.75 62.46 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.053 -1.498 . . . . 25.0 112.408 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -117.99 106.06 12.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 25.0 109.844 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.64 107.49 11.55 Favored 'General case' 0 CA--C 1.471 -2.081 0 CA-C-O 123.069 1.414 . . . . 50.0 110.762 176.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -140.49 151.28 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.702 0 CA-C-N 111.636 -2.529 . . . . 50.0 105.614 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.19 166.1 40.1 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 108.623 -1.791 . . . . 25.0 108.623 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 -172.43 41.83 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.428 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.28 145.42 18.99 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 118.309 1.054 . . . . 25.0 114.673 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.2 ptp -148.85 137.11 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.76 141.19 31.59 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.31 153.15 30.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -75.28 156.15 35.94 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.58 -17.46 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.14 -27.79 62.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.959 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.283 1.0 OUTLIER -58.74 133.26 55.79 Favored 'General case' 0 CA--C 1.429 -3.675 0 N-CA-C 120.528 3.529 . . . . 25.0 120.528 176.615 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.15 -27.11 67.77 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 113.451 -1.704 . . . . 25.0 112.319 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.12 74.58 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.152 -0.779 . . . . 25.0 111.152 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.44 -48.15 15.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.255 0 CA-C-N 117.355 0.577 . . . . 50.0 110.064 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -53.19 -42.28 66.09 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.923 0.489 . . . . 25.0 111.982 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -26.97 68.31 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.48 -33.03 21.94 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.09 -62.9 1.43 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 108.135 -1.061 . . . . 50.0 108.135 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.58 -33.71 74.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.505 0.503 . . . . 25.0 111.124 -173.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.49 -48.83 75.99 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.23 86.03 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.276 1.2 t -76.34 -36.55 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 105.891 -1.892 . . . . 50.0 105.891 -174.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.44 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.61 -35.75 92.45 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 107.962 -2.055 . . . . 25.0 107.962 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -85.22 -28.67 25.25 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.232 1.015 . . . . 25.0 111.924 -176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -86.73 -62.91 1.4 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -84.3 -52.55 6.13 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 112.269 -2.241 . . . . 25.0 112.182 -171.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -70.42 -30.71 67.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.992 -178.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.18 66.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -75.02 155.97 36.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.945 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.55 51.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.436 0.636 . . . . 25.0 109.953 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -66.13 131.14 45.5 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.465 0.65 . . . . 25.0 109.598 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.6 mmt -70.07 -19.58 63.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.577 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -112.43 163.64 14.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -102.17 143.06 32.45 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -144.27 155.0 43.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.292 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.83 102.35 5.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 101.394 -3.558 . . . . 25.0 101.394 168.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.78 -45.62 74.34 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -151.31 129.41 11.85 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.2 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.23 126.46 39.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.45 -47.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -146.97 145.09 29.64 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.24 115.08 9.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.09 167.98 26.74 Favored 'General case' 0 CA--C 1.487 -1.443 0 CA-C-O 121.972 0.891 . . . . 25.0 112.58 -171.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.09 153.88 50.44 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 113.84 -1.527 . . . . 25.0 109.174 -175.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.71 119.0 26.81 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 105.365 -2.087 . . . . 25.0 105.365 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.1 mt -105.71 132.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 25.0 110.338 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.56 -154.91 9.52 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 106.808 -2.517 . . . . 25.0 106.808 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.17 70.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.877 0.839 . . . . 25.0 109.072 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.68 155.54 16.1 Favored Glycine 0 N--CA 1.446 -0.646 1 N-CA-C 102.773 -4.131 . . . . 25.0 102.773 173.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.87 134.33 64.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -127.34 129.36 47.48 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.093 -0.379 . . . . 25.0 110.857 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -104.72 135.05 46.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.82 124.76 49.16 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.32 116.03 19.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -114.19 135.28 54.22 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 123.244 1.497 . . . . 25.0 109.14 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.48 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.3 141.7 19.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 N-CA-C 121.264 3.801 . . . . 50.0 121.264 -165.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -90.36 130.87 36.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.367 -1.742 . . . . 25.0 108.931 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.33 152.29 21.73 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.356 1.074 . . . . 25.0 112.085 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.76 169.59 42.56 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 104.388 -3.485 . . . . 25.0 104.388 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -112.98 139.31 48.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -112.74 148.68 34.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.011 0.434 . . . . 25.0 111.197 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -71.98 -29.24 64.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.858 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.77 165.68 11.08 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 p -105.54 174.83 5.71 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.937 -1.483 . . . . 25.0 108.119 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -60.32 -24.4 64.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.288 0.8 OUTLIER -104.79 -14.36 15.56 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 118.661 2.837 . . . . 25.0 118.661 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.44 147.5 48.81 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 112.508 -2.133 . . . . 25.0 113.04 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.6 28.38 0.41 Allowed 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.692 2.928 . . . . 25.0 113.808 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -129.82 9.99 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -172.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.82 -14.79 1.54 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 120.893 3.664 . . . . 50.0 120.893 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -42.27 10.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 120.806 1.639 . . . . 25.0 111.188 175.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -84.4 -30.59 25.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.199 -0.909 . . . . 25.0 112.318 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -60.71 9.7 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.536 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -70.54 -24.17 26.41 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 114.678 -3.082 . . . . 25.0 113.972 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.61 -37.19 77.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.374 0.534 . . . . 25.0 110.494 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -83.63 -43.14 15.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.348 0.594 . . . . 25.0 111.633 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.58 -44.45 74.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -57.57 -50.94 85.31 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 119.053 0.842 . . . . 25.0 112.601 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.08 -18.15 27.62 Favored 'Trans proline' 0 CA--C 1.541 0.852 1 C-N-CA 113.13 -4.113 . . . . 25.0 114.67 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -68.58 -28.19 66.72 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.608 -0.682 . . . . 25.0 110.197 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.57 80.36 1.08 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.929 0.871 . . . . 50.0 109.444 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -33.52 65.99 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -89.3 133.87 34.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 101.482 -3.525 . . . . 25.0 101.482 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.02 142.21 51.6 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.14 143.22 49.68 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.25 134.22 53.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.654 0.74 . . . . 25.0 109.114 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.45 158.04 28.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.523 -1.217 . . . . 25.0 110.058 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -129.78 131.03 46.09 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -118.96 132.44 56.08 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -123.27 112.56 17.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.318 -0.855 . . . . 25.0 108.8 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.69 118.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -90.3 127.86 36.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.275 -2.12 . . . . 25.0 105.275 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -105.63 134.44 48.74 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.64 103.05 29.97 Favored Pre-proline 0 C--N 1.309 -1.155 1 N-CA-C 96.547 -5.353 . . . . 50.0 96.547 -171.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.21 -23.05 13.83 Favored 'Trans proline' 0 N--CA 1.452 -0.913 1 C-N-CA 106.711 -8.393 . . . . 25.0 114.743 -168.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -62.63 -21.22 65.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 25.0 113.942 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.07 -4.47 12.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.693 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.52 75.63 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -105.34 167.08 9.97 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.417 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.9 ptp -148.13 157.69 43.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.7 m -142.78 140.74 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.105 0.562 . . . . 25.0 110.21 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -66.2 112.79 4.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 107.715 -1.217 . . . . 50.0 107.715 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 t -84.41 -32.05 24.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.359 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -154.36 142.85 20.67 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.188 0.518 . . . . 25.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 p -133.36 127.45 33.53 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 101.891 -3.374 . . . . 25.0 101.891 170.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -138.0 145.09 41.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 104.123 -2.547 . . . . 25.0 104.123 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.04 172.89 13.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -129.52 154.0 47.45 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.38 145.84 26.71 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.461 -1.257 . . . . 25.0 108.282 178.146 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p -161.84 169.19 9.88 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.22 165.21 27.47 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 116.717 -1.722 . . . . 25.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.08 112.93 4.26 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 114.792 0.677 . . . . 25.0 114.792 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -131.57 68.47 81.01 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 121.822 0.82 . . . . 25.0 110.056 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.59 156.76 64.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 120.46 0.774 . . . . 25.0 112.272 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.18 152.3 72.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 117.052 -1.498 . . . . 25.0 112.242 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -67.85 137.58 55.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -101.04 60.82 0.94 Allowed 'General case' 0 CA--C 1.452 -2.825 0 CA-C-O 123.301 1.524 . . . . 50.0 110.043 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.11 123.22 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.287 0 CA-C-N 111.631 -2.531 . . . . 50.0 107.657 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.73 -149.41 41.52 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 109.924 -1.27 . . . . 25.0 109.924 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.29 -74.98 0.16 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 114.379 0.512 . . . . 25.0 114.379 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -73.68 145.56 37.19 Favored 'Trans proline' 0 C--N 1.343 0.268 0 CA-C-N 119.197 1.498 . . . . 25.0 115.676 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.91 146.83 28.07 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.5 149.63 23.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.04 158.59 38.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.823 -1.917 . . . . 25.0 105.823 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -78.7 161.88 26.58 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.61 -15.82 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.251 0.548 . . . . 50.0 111.0 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.7 -25.91 37.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.867 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 2.5 mp0 -50.3 135.99 20.76 Favored 'General case' 0 CA--C 1.452 -2.82 1 N-CA-C 122.514 4.264 . . . . 25.0 122.514 173.157 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -59.88 -35.11 74.14 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 112.491 -2.141 . . . . 25.0 110.607 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -24.3 76.87 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.25 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.2 t -88.42 -47.91 15.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-N 118.083 0.942 . . . . 50.0 110.697 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -54.15 -38.58 65.65 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -28.43 69.61 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 119.382 -0.927 . . . . 25.0 111.952 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.75 20.03 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 mt -55.97 -62.94 1.36 Allowed 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 109.088 -0.708 . . . . 50.0 109.088 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.5 -31.96 70.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.922 0.764 . . . . 25.0 110.274 -170.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.85 -47.75 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.81 88.52 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.292 1.0 OUTLIER -73.2 -39.31 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 105.017 -2.216 . . . . 50.0 105.017 -173.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.2 -37.4 94.46 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 108.6 -1.8 . . . . 25.0 108.6 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -85.41 -29.43 24.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 122.131 0.967 . . . . 25.0 112.05 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -87.09 -62.86 1.41 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 123.791 1.757 . . . . 25.0 115.623 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -84.33 -51.74 6.74 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.206 -2.27 . . . . 25.0 112.106 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -71.41 -30.66 66.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.059 -0.518 . . . . 25.0 109.714 -178.466 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.78 -32.14 67.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -79.47 155.15 28.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.846 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -101.32 51.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.436 0.636 . . . . 25.0 110.284 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.21 126.6 29.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.33 -0.618 . . . . 25.0 109.33 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.66 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.637 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -99.36 148.92 23.68 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.56 112.5 23.1 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.139 -1.424 . . . . 25.0 113.085 -171.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -95.58 147.66 23.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 104.62 -2.363 . . . . 25.0 104.62 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -158.9 165.62 33.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.35 102.59 5.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.186 -2.894 . . . . 25.0 103.186 171.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.07 -43.53 34.02 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.829 0.824 . . . . 25.0 111.737 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -151.09 125.58 9.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.481 -1.236 . . . . 25.0 108.533 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.12 131.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.05 -43.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.611 -0.722 . . . . 50.0 109.055 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.73 139.99 33.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.02 109.98 6.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.57 168.81 24.34 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 121.251 0.548 . . . . 25.0 112.476 -177.566 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.19 151.71 35.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.518 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.2 tt0 -99.08 129.55 45.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.5 mm -101.2 138.3 25.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.359 -1.719 . . . . 25.0 106.359 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.83 -164.75 34.87 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 110.355 -1.098 . . . . 25.0 110.355 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.37 66.59 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.239 0.542 . . . . 25.0 109.959 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.86 11.16 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 104.379 -3.489 . . . . 25.0 104.379 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.06 114.98 47.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 118.032 0.916 . . . . 50.0 108.838 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.33 118.81 36.87 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.098 -0.376 . . . . 25.0 110.027 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -91.62 133.54 35.46 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 94.1 m-85 -123.34 117.6 25.62 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.11 116.05 17.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.886 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -111.98 139.26 47.63 Favored 'General case' 0 CA--C 1.48 -1.733 0 CA-C-O 123.411 1.577 . . . . 25.0 108.753 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 49' ' ' VAL 0.338 0.9 OUTLIER -141.69 133.44 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 N-CA-C 120.637 3.569 . . . . 50.0 120.637 -168.277 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.54 135.93 33.39 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 112.858 -1.974 . . . . 25.0 107.782 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.77 143.54 45.24 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -175.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.23 165.34 30.79 Favored Glycine 0 N--CA 1.439 -1.136 1 N-CA-C 102.965 -4.054 . . . . 25.0 102.965 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -125.78 133.08 52.15 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -88.64 142.88 27.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.3 p -75.82 -17.81 59.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.494 0.664 . . . . 25.0 109.562 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.7 m -99.98 160.54 14.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.584 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -131.1 178.26 6.83 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.379 -172.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.35 -27.33 62.16 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.096 1.887 . . . . 25.0 116.096 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.307 0.8 OUTLIER -107.17 -15.35 14.69 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 116.17 1.915 . . . . 25.0 116.17 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.584 ' HB2' ' H ' ' A' ' 74' ' ' THR . 89.2 mm-40 -83.21 153.56 66.2 Favored Pre-proline 0 C--N 1.298 -1.661 0 CA-C-N 111.466 -2.606 . . . . 25.0 108.718 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.93 177.23 9.0 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 121.571 1.514 . . . . 25.0 114.875 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 61.79 41.9 11.22 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.63 -14.64 45.56 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.461 0.912 . . . . 50.0 113.461 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -42.13 15.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 122.336 1.065 . . . . 25.0 109.525 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -86.9 -35.52 18.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.5 m -63.88 -58.97 12.61 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.607 -0.837 . . . . 25.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -65.31 -26.12 56.38 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.596 -3.136 . . . . 25.0 114.771 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.78 -40.05 82.84 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.539 0.609 . . . . 25.0 110.282 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -84.49 -30.05 25.51 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.33 -36.17 82.23 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.709 -0.619 . . . . 25.0 112.136 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.59 -55.26 44.17 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -21.72 58.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 114.649 -3.101 . . . . 25.0 114.443 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -70.23 -15.24 62.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 111.197 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.29 63.6 1.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.309 0.576 . . . . 50.0 110.716 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -68.49 -32.04 71.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 104.917 -2.253 . . . . 25.0 104.917 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -84.24 105.81 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.085 -2.191 . . . . 25.0 105.085 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.86 136.59 34.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 174.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.14 124.07 14.33 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -124.33 141.79 51.79 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 95.1 m -98.74 160.13 14.48 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 125.334 1.454 . . . . 25.0 108.282 173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -129.71 124.25 33.09 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -117.28 127.13 53.77 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.51 117.46 19.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mt -109.48 124.95 66.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -93.22 124.2 37.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.92 133.66 45.07 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 103.156 -2.905 . . . . 25.0 103.156 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -102.25 103.24 29.43 Favored Pre-proline 0 N--CA 1.436 -1.139 1 N-CA-C 95.47 -5.752 . . . . 50.0 95.47 -173.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.21 -24.03 12.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.52 -8.52 . . . . 25.0 114.417 -170.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -59.58 -28.93 67.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.589 -1.187 . . . . 25.0 113.474 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -108.34 -5.48 16.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.798 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.37 17.24 79.72 Favored Glycine 0 C--O 1.228 -0.268 0 CA-C-O 122.117 0.843 . . . . 25.0 111.452 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -109.91 167.36 10.22 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.467 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 33.3 mtt -148.11 157.45 43.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.1 m -142.0 137.63 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.011 0.524 . . . . 25.0 109.75 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.97 102.31 1.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -79.7 -30.65 41.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -146.13 132.16 19.27 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.06 0.457 . . . . 25.0 111.457 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 117.07 17.88 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 171.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.18 154.24 50.81 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.392 -2.447 . . . . 25.0 104.392 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.6 179.74 6.64 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.607 0.718 . . . . 25.0 111.495 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.53 160.09 15.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -170.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.39 151.63 44.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.452 -1.684 . . . . 25.0 106.452 170.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 117.95 -1.024 . . . . 25.0 109.858 178.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.202 -0.296 . . . . 25.0 110.202 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -70.47 147.49 94.92 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 104.402 -2.444 . . . . 25.0 104.402 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -69.78 169.45 18.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 117.345 -1.303 . . . . 25.0 112.785 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.63 26.24 47.17 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.791 -0.719 . . . . 25.0 113.814 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -122.01 61.46 13.52 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.28 173.3 14.56 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.746 1.631 . . . . 25.0 112.527 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.17 154.04 73.27 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.605 -3.13 . . . . 25.0 109.649 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -140.4 159.41 42.26 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.4 mt -130.72 120.78 24.35 Favored 'General case' 0 CA--C 1.478 -1.8 0 CA-C-O 123.165 1.459 . . . . 50.0 109.165 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.61 -40.22 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 110.969 -2.832 . . . . 50.0 109.808 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.8 143.74 11.38 Favored Glycine 0 C--O 1.225 -0.452 0 N-CA-C 108.569 -1.812 . . . . 25.0 108.569 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.08 -168.87 47.03 Favored Glycine 0 C--O 1.242 0.623 0 N-CA-C 110.662 -0.975 . . . . 25.0 110.662 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.4 143.81 15.71 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 117.149 -1.434 . . . . 25.0 113.057 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -148.91 150.25 32.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.97 147.54 22.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 150.69 43.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 103.122 -2.918 . . . . 25.0 103.122 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' HG ' ' CD ' ' A' ' 20' ' ' GLU . 55.0 p -78.99 158.34 27.96 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.962 -0.563 . . . . 25.0 109.652 -172.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.87 -15.42 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.511 0.672 . . . . 50.0 110.463 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -82.54 -25.98 32.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.006 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' CD ' ' HG ' ' A' ' 17' ' ' SER 0.301 2.6 mp0 -53.43 132.14 39.22 Favored 'General case' 0 CA--C 1.432 -3.57 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 171.864 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.39 -24.89 63.93 Favored 'General case' 0 N--CA 1.406 -2.666 0 C-N-CA 117.352 -1.739 . . . . 25.0 111.075 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.7 -23.25 73.93 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.771 -0.932 . . . . 25.0 110.771 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -88.58 -44.64 15.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -53.3 -42.85 67.03 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.53 69.37 Favored 'General case' 0 C--O 1.198 -1.616 0 C-N-CA 119.84 -0.744 . . . . 25.0 112.831 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.49 -32.71 22.09 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.91 -62.77 1.57 Allowed 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.23 -33.43 75.34 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.915 0.759 . . . . 25.0 110.477 -173.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.62 -49.66 74.34 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.47 76.58 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -75.9 -36.67 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.951 -1.87 . . . . 50.0 105.951 -173.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.93 -38.54 95.6 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 108.027 -2.029 . . . . 25.0 108.027 -178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -85.48 -26.79 26.08 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-O 122.818 1.294 . . . . 25.0 113.587 -176.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -87.11 -62.95 1.39 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 116.413 2.005 . . . . 25.0 116.413 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -83.67 -53.48 5.61 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 112.726 -2.034 . . . . 25.0 112.961 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -31.82 71.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.957 -178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -74.86 153.28 38.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.754 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -87.03 55.03 3.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.586 0.708 . . . . 25.0 110.195 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -67.03 129.36 39.65 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.856 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mtp -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.08 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -123.7 164.08 19.83 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.94 112.91 21.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 m -117.94 142.83 46.92 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.1 159.55 44.33 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.899 -0.321 . . . . 25.0 110.998 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 102.13 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 169.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.74 -49.56 45.6 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.756 0.789 . . . . 25.0 110.829 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -148.07 129.86 15.16 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 113.943 -1.481 . . . . 25.0 107.949 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.484 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -83.34 129.42 37.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.586 -1.264 . . . . 50.0 107.586 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -87.05 -44.02 16.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.058 -1.09 . . . . 50.0 108.058 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -142.99 140.62 31.1 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 117.86 12.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 106.884 -1.524 . . . . 25.0 106.884 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.63 167.77 27.8 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-O 121.596 0.712 . . . . 25.0 112.145 -172.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.73 143.06 33.33 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.649 -1.159 . . . . 25.0 110.324 -174.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -113.99 115.91 28.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.51 -2.404 . . . . 25.0 104.51 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.19 134.56 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.97 -160.19 25.62 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 108.58 -1.808 . . . . 25.0 108.58 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.79 68.61 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 117.687 0.744 . . . . 25.0 109.996 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.59 145.78 17.0 Favored Glycine 0 N--CA 1.448 -0.505 1 N-CA-C 101.119 -4.792 . . . . 25.0 101.119 172.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 83.5 t -121.6 132.68 70.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 CA-C-N 118.66 1.23 . . . . 50.0 108.075 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -125.88 136.24 52.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -105.66 137.42 43.54 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 104.251 -2.5 . . . . 25.0 104.251 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -123.1 132.14 53.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.942 -2.244 . . . . 25.0 104.942 177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -138.14 116.97 12.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -114.72 135.56 54.03 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 123.488 1.614 . . . . 25.0 108.508 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.66 141.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 120.869 3.655 . . . . 50.0 120.869 -164.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.02 136.58 33.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.498 -1.683 . . . . 25.0 108.599 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.57 149.46 32.71 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.124 0.964 . . . . 25.0 113.134 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.99 161.02 34.39 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 103.872 -3.691 . . . . 25.0 103.872 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -95.06 139.63 31.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 p -94.64 143.02 26.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -174.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.3 p -75.22 -17.75 60.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.96 154.89 18.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.617 0.723 . . . . 25.0 111.859 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.48 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 21.4 p -95.77 173.42 7.47 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 174.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -62.75 -17.0 60.2 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 115.659 1.725 . . . . 25.0 115.659 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.25 -14.29 13.84 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 119.013 2.968 . . . . 25.0 119.013 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.48 ' HG3' ' H ' ' A' ' 74' ' ' THR . 18.5 mm-40 -53.78 146.86 25.14 Favored Pre-proline 0 C--N 1.295 -1.79 0 CA-C-N 112.251 -2.25 . . . . 25.0 113.354 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.88 0.66 9.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 121.389 1.393 . . . . 25.0 115.519 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -123.2 40.0 3.82 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.987 1.477 . . . . 25.0 114.987 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.37 -14.19 25.58 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.916 1.821 . . . . 50.0 115.916 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -84.26 -42.23 16.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.051 0.929 . . . . 25.0 109.392 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -78.87 -39.02 36.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.54 -61.13 8.58 Favored Pre-proline 0 C--O 1.215 -0.737 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -67.34 -21.37 47.5 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 114.642 -3.105 . . . . 25.0 114.431 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.52 -38.27 90.43 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -83.55 -33.21 25.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.85 -42.66 99.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.916 0.486 . . . . 25.0 111.611 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.82 -56.18 38.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.45 -17.18 34.6 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 114.707 -3.062 . . . . 25.0 114.532 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.56 -29.09 69.07 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.6 85.59 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.291 0.567 . . . . 50.0 112.336 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -76.91 -32.73 57.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 173.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -95.22 136.02 36.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 101.515 -3.513 . . . . 25.0 101.515 171.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -127.12 148.37 50.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.93 136.79 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -124.24 138.35 54.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 40.2 m -104.58 159.77 15.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.664 -1.153 . . . . 25.0 111.367 172.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 m -129.82 118.14 21.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.62 136.68 51.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -130.34 118.01 20.62 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.4 mt -107.2 120.31 58.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -90.44 123.17 33.94 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.473 -2.047 . . . . 25.0 105.473 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.71 133.61 44.92 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.537 -2.394 . . . . 25.0 104.537 178.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.89 103.09 31.33 Favored Pre-proline 0 CA--C 1.49 -1.363 1 N-CA-C 97.78 -4.896 . . . . 50.0 97.78 -171.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.41 -19.11 17.32 Favored 'Trans proline' 0 N--CA 1.45 -1.037 1 C-N-CA 106.571 -8.486 . . . . 25.0 114.716 -170.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.05 -29.03 59.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -117.22 -1.99 11.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.07 78.74 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-O 122.232 0.906 . . . . 25.0 111.365 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 p -101.63 167.25 10.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.109 0.964 . . . . 25.0 109.32 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.436 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.08 157.6 43.6 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 169.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 m -143.7 139.54 29.56 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.331 0.653 . . . . 25.0 109.461 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.4 114.21 4.65 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 108.655 -0.868 . . . . 50.0 108.655 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -88.83 -27.77 20.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.543 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -152.15 138.1 18.11 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.83 107.97 5.48 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.746 -2.316 . . . . 25.0 104.746 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -130.92 148.83 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 2.4 t -155.59 178.24 10.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -116.58 150.88 37.31 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -66.56 137.15 56.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.643 0.201 . . . . 25.0 110.912 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.479 0 CA-C-O 117.583 -1.199 . . . . 25.0 110.32 -175.56 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.592 -0.151 . . . . 25.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m 45.95 52.27 10.92 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.92 -15.41 18.79 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 116.839 -1.641 . . . . 25.0 114.344 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.41 -143.57 27.24 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.055 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -145.61 139.65 15.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 106.64 -1.615 . . . . 25.0 106.64 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -66.58 146.99 81.25 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 115.276 -2.682 . . . . 25.0 110.829 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.36 -0.02 9.93 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 N-CA-C 115.942 1.478 . . . . 25.0 115.942 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -65.52 147.06 54.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.878 -0.514 . . . . 25.0 111.13 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -93.92 148.46 22.13 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 106.201 -1.777 . . . . 50.0 106.201 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -145.84 150.66 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 114.875 -1.057 . . . . 50.0 108.569 -171.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.97 162.43 24.73 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 103.757 -3.737 . . . . 25.0 103.757 175.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 -161.18 52.54 Favored Glycine 0 C--O 1.239 0.469 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -79.7 146.95 19.21 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 CA-C-N 119.443 1.622 . . . . 25.0 115.309 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ptm -148.91 139.98 23.03 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 140.97 31.69 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 173.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.32 163.84 15.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -69.32 144.73 53.43 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 m -68.65 -16.65 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.61 1.095 . . . . 50.0 109.013 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.05 -5.91 56.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.23 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.07 140.76 56.64 Favored 'General case' 0 CA--C 1.426 -3.809 0 N-CA-C 116.709 2.114 . . . . 25.0 116.709 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -70.3 -29.47 66.23 Favored 'General case' 0 N--CA 1.4 -2.927 0 C-N-CA 116.749 -1.981 . . . . 25.0 111.553 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.52 -24.93 73.91 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 110.122 -1.191 . . . . 25.0 110.122 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.3 t -85.34 -47.79 16.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 CA-C-N 117.466 0.633 . . . . 50.0 110.617 176.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -48.36 -48.51 36.5 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.645 0.657 . . . . 25.0 112.542 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -28.35 69.64 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 112.883 0.698 . . . . 25.0 112.883 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.56 -34.13 21.56 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.62 -56.19 22.48 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.5 -30.75 63.32 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.505 0.503 . . . . 25.0 110.04 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.61 -48.1 78.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.42 -47.87 66.07 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.271 1.1 t -74.65 -37.8 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 106.876 -1.528 . . . . 50.0 106.876 -174.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.0 -35.75 92.53 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 108.143 -1.983 . . . . 25.0 108.143 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -85.52 -28.62 24.82 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.607 1.194 . . . . 25.0 111.752 -176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.82 -62.98 1.38 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 116.117 1.895 . . . . 25.0 116.117 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -84.22 -52.54 6.16 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 112.83 -1.986 . . . . 25.0 111.579 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -71.08 -28.91 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.668 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.9 -32.01 65.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -76.78 159.28 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -63.54 126.1 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.093 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.3 101.43 6.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -92.64 -35.18 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.528 0.68 . . . . 25.0 110.19 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -147.29 136.73 22.68 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.885 -3.006 . . . . 25.0 102.885 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 112.56 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.895 0.747 . . . . 25.0 109.941 -177.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -130.23 136.38 49.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -150.98 164.37 36.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.088 -0.383 . . . . 25.0 111.974 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.45 102.29 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.01 -47.81 27.23 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 122.174 0.988 . . . . 25.0 111.388 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -140.04 121.57 15.17 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 113.968 -1.469 . . . . 25.0 109.1 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.98 128.57 38.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.1 t -87.32 -44.1 15.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -144.66 146.61 32.34 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.96 115.84 8.77 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -148.37 162.42 39.59 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-O 121.503 0.668 . . . . 25.0 110.471 -173.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -131.77 164.87 25.06 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.801 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -131.05 118.56 20.74 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.461 -2.052 . . . . 25.0 105.461 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.02 131.23 53.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.615 -0.513 . . . . 25.0 109.615 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -157.98 17.31 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 106.759 -2.536 . . . . 25.0 106.759 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.6 -25.41 68.22 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.896 0.848 . . . . 25.0 110.038 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.16 154.06 16.82 Favored Glycine 0 N--CA 1.449 -0.493 1 N-CA-C 102.683 -4.167 . . . . 25.0 102.683 174.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.07 133.58 67.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 CA-C-N 118.602 1.201 . . . . 50.0 108.421 -176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -121.72 139.31 53.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -111.75 115.96 29.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.155 -1.795 . . . . 25.0 106.155 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.407 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.1 m-85 -106.78 120.93 43.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.29 132.01 54.55 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.72 131.01 56.13 Favored 'General case' 0 CA--C 1.482 -1.655 0 CA-C-O 123.754 1.74 . . . . 25.0 106.396 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.12 138.38 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 N-CA-C 121.424 3.861 . . . . 50.0 121.424 -166.207 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -94.59 119.0 32.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.339 -2.209 . . . . 25.0 105.905 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.95 140.94 29.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.942 -1.027 . . . . 25.0 108.649 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.74 179.16 27.69 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.852 -1.699 . . . . 25.0 108.852 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -132.03 163.46 28.37 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.329 0.252 . . . . 25.0 110.57 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -119.86 142.87 48.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 p -82.75 -20.09 36.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 25.0 110.444 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.39 160.31 14.44 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.989 0.899 . . . . 25.0 111.702 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -105.82 177.07 4.96 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.975 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.28 -22.97 63.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.266 0.8 OUTLIER -107.33 -14.41 14.89 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 117.558 2.429 . . . . 25.0 117.558 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -60.17 153.58 56.39 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 111.988 -2.369 . . . . 25.0 111.648 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.83 165.35 32.46 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 N-CA-C 113.492 0.535 . . . . 25.0 113.492 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.92 62.43 2.24 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.579 2.066 . . . . 25.0 116.579 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.87 -10.79 6.14 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.506 0.928 . . . . 50.0 113.506 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -42.34 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.382 1.087 . . . . 25.0 110.7 177.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.89 -39.31 14.89 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.26 -54.12 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 119.769 -0.773 . . . . 25.0 111.015 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -70.21 -23.02 29.2 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 113.892 -3.605 . . . . 25.0 114.21 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.9 -38.36 82.06 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 118.785 0.72 . . . . 25.0 109.442 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -84.64 -20.16 31.77 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -71.7 -37.85 70.64 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.962 -0.462 . . . . 25.0 110.453 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.44 -54.79 47.1 Favored Pre-proline 0 N--CA 1.469 0.52 0 O-C-N 121.406 -0.809 . . . . 25.0 113.085 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -71.15 -11.44 28.93 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 115.391 -2.606 . . . . 25.0 114.268 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -73.78 -32.15 63.65 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.68 77.87 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.57 0.7 . . . . 50.0 109.723 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -13.62 59.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.525 0.678 . . . . 25.0 110.102 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -125.19 125.86 44.31 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 100.953 -3.721 . . . . 25.0 100.953 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -122.89 139.93 53.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 103.586 -2.746 . . . . 25.0 103.586 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.55 145.09 29.94 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.434 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 50.2 p90 -117.56 133.16 56.26 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -130.47 160.13 35.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.107 -1.406 . . . . 25.0 111.264 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -128.12 128.84 45.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -124.44 119.57 29.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.221 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -112.38 112.65 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.11 122.91 52.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 105.892 -1.892 . . . . 25.0 105.892 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -90.23 125.07 35.36 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 104.914 -2.254 . . . . 25.0 104.914 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.85 132.87 48.74 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 104.409 -2.441 . . . . 25.0 104.409 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.9 103.25 27.88 Favored Pre-proline 0 N--CA 1.434 -1.25 1 N-CA-C 97.258 -5.09 . . . . 50.0 97.258 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.4 -21.78 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.929 1 C-N-CA 106.464 -8.557 . . . . 25.0 115.108 -168.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -59.26 -32.08 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.262 -0.881 . . . . 25.0 112.71 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -107.68 -2.53 20.06 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.369 -0.207 . . . . 25.0 111.377 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.93 75.8 Favored Glycine 0 N--CA 1.459 0.205 0 CA-C-O 122.081 0.823 . . . . 25.0 111.714 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -101.76 167.48 10.06 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.433 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 12.5 ptm -148.21 157.47 43.51 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 170.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -149.22 140.69 23.34 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.217 0.607 . . . . 25.0 110.354 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.44 112.88 3.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.48 0.657 . . . . 50.0 110.155 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -88.7 -32.46 17.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.881 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -144.96 131.78 20.13 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.129 0.49 . . . . 25.0 110.03 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.57 118.78 18.65 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.195 -2.52 . . . . 25.0 104.195 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -135.3 148.39 49.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.52 172.52 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 5.7 mm-40 -118.05 160.18 21.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.959 -1.473 . . . . 25.0 109.093 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.79 151.64 41.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.315 0.646 . . . . 25.0 112.13 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 N-CA-C 103.816 -2.661 . . . . 25.0 103.816 174.395 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.4 ' H3 ' ' CD ' ' A' ' 21' ' ' GLU . 1.5 m . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.805 -0.617 . . . . 25.0 110.052 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p 37.25 63.36 3.18 Favored Pre-proline 0 N--CA 1.481 1.12 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.59 154.27 59.9 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 116.852 -1.632 . . . . 25.0 112.557 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.02 -139.7 24.65 Favored Glycine 0 C--O 1.226 -0.391 0 N-CA-C 109.084 -1.606 . . . . 25.0 109.084 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.1 tttt 42.45 54.8 9.68 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.91 150.71 30.47 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.062 -1.492 . . . . 25.0 114.073 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.49 156.85 40.9 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 117.594 -1.137 . . . . 25.0 111.268 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -81.81 -23.0 36.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.03 -0.419 . . . . 25.0 111.399 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 67.15 5.99 4.5 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 124.229 1.011 . . . . 50.0 112.699 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -147.34 140.16 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.33 0 N-CA-C 104.736 -2.32 . . . . 50.0 104.736 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.26 -169.58 28.91 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.168 -1.573 . . . . 25.0 109.168 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.61 -166.15 37.57 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.66 152.31 69.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 116.949 -1.567 . . . . 25.0 111.599 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.1 ptm -138.96 142.59 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.24 147.4 28.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 174.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 155.76 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -74.73 153.96 38.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.5 m -65.5 -21.52 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.323 0.582 . . . . 50.0 109.523 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.3 -23.77 54.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.259 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.269 1.2 mp0 -52.45 134.74 34.53 Favored 'General case' 0 CA--C 1.428 -3.738 0 N-CA-C 118.446 2.758 . . . . 25.0 118.446 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CD ' ' H3 ' ' A' ' 1' ' ' SER . 63.0 mt-10 -70.69 -24.18 62.62 Favored 'General case' 0 N--CA 1.403 -2.821 0 C-N-CA 116.686 -2.006 . . . . 25.0 111.897 -177.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.77 -25.39 73.0 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.123 -1.191 . . . . 25.0 110.123 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.0 t -88.48 -47.01 15.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 117.44 0.62 . . . . 50.0 109.558 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -50.91 -46.02 60.59 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -25.37 68.15 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -36.5 20.32 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -62.1 2.02 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 109.645 -0.502 . . . . 50.0 109.645 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.32 -27.99 62.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.988 -170.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.33 -45.49 69.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.98 71.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.276 1.1 t -72.22 -39.7 64.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.117 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 -175.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -61.77 -37.86 94.99 Favored Glycine 0 C--O 1.205 -1.682 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -85.3 -28.0 25.57 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.429 1.109 . . . . 25.0 111.952 -175.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -86.5 -63.01 1.38 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 123.856 1.789 . . . . 25.0 115.521 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -84.49 -51.61 6.78 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.216 -2.265 . . . . 25.0 112.682 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.53 -31.36 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.748 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.91 -32.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -77.27 152.07 34.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.832 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.67 53.73 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.616 0.722 . . . . 25.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -66.48 128.5 36.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.735 -0.666 . . . . 25.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.2 mtm -70.22 -19.45 63.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.631 -0.713 . . . . 25.0 110.774 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -116.78 164.67 14.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 177.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -109.38 137.31 47.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.17 160.01 41.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.446 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 102.24 1.63 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.5 -2.407 . . . . 25.0 104.5 170.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -48.1 56.67 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.958 0.885 . . . . 25.0 111.953 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -148.86 128.72 13.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.125 -1.398 . . . . 25.0 108.674 -171.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -81.78 131.09 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 t -91.91 -42.0 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 50.0 109.233 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -144.56 143.66 30.92 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.88 5.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 25.0 109.522 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -151.5 168.86 23.56 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.828 0.823 . . . . 25.0 113.204 -175.651 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 139.25 50.29 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.089 -1.414 . . . . 25.0 111.627 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -98.82 130.31 45.25 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.8 mt -98.94 138.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.765 -1.569 . . . . 25.0 106.765 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.05 -159.46 32.01 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 109.611 -1.395 . . . . 25.0 109.611 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.21 -1.21 16.82 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.835 0.826 . . . . 25.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -152.84 158.77 28.08 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 101.612 -4.595 . . . . 25.0 101.612 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.4 t -122.06 124.59 71.56 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 118.581 1.19 . . . . 50.0 109.025 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -110.61 124.0 51.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.099 0.476 . . . . 25.0 109.798 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -92.03 111.25 22.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.407 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 74.4 m-85 -98.54 117.01 32.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -128.5 114.31 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.493 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -109.28 138.64 45.32 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 123.219 1.485 . . . . 25.0 108.196 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -150.23 141.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 120.644 3.572 . . . . 50.0 120.644 -166.004 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -90.36 132.8 35.39 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.328 -1.76 . . . . 25.0 108.051 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.49 146.42 37.29 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.284 1.04 . . . . 25.0 111.064 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.94 158.16 29.44 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 105.527 -3.029 . . . . 25.0 105.527 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -87.71 128.5 35.3 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 105.045 -2.206 . . . . 25.0 105.045 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 p -92.51 149.98 21.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.384 0.611 . . . . 25.0 111.765 -175.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 p -76.74 -12.94 60.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.706 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.76 144.86 28.34 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.766 0.793 . . . . 25.0 109.017 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 17.8 p -90.69 175.71 6.93 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -62.67 -17.96 61.52 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -110.49 -14.74 14.04 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 118.951 2.945 . . . . 25.0 118.951 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.4 mm100 -53.12 147.5 17.19 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 112.495 -2.139 . . . . 25.0 114.425 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -83.74 10.23 3.77 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.112 1.875 . . . . 25.0 116.199 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -127.14 35.36 4.59 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.0 -10.56 6.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 117.87 2.544 . . . . 50.0 117.87 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -42.26 13.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.71 1.141 . . . . 25.0 109.644 173.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -38.25 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.959 -1.019 . . . . 25.0 113.324 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -59.07 -60.1 11.65 Favored Pre-proline 0 C--O 1.215 -0.749 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.942 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.26 -23.18 52.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 114.749 -3.034 . . . . 25.0 113.77 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.44 -50.44 73.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -84.71 -19.51 32.64 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -69.69 -34.74 74.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.231 -0.918 . . . . 25.0 109.944 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -57.26 -58.12 20.16 Favored Pre-proline 0 N--CA 1.47 0.566 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -66.82 -25.86 45.34 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 114.536 -3.176 . . . . 25.0 114.647 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -82.47 4.57 23.76 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.537 ' HB2' ' HZ2' ' A' ' 94' ' ' LYS . 1.1 mt -76.76 91.89 3.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.868 -0.789 . . . . 50.0 108.868 175.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -14.02 54.54 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.628 -0.715 . . . . 25.0 110.832 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -138.18 133.46 33.32 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.537 ' HZ2' ' HB2' ' A' ' 91' ' ' LEU . 5.8 mptp? -105.51 138.49 41.62 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -119.8 135.39 54.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.419 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 40.2 p90 -124.0 140.08 53.33 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 177.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.88 160.14 32.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.993 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.4 m -129.78 122.25 28.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -115.71 135.46 54.02 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.75 109.24 10.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.6 mt -100.41 120.39 49.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.56 121.95 32.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.23 135.79 41.12 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.25 -2.5 . . . . 25.0 104.25 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -100.82 103.28 23.64 Favored Pre-proline 0 C--O 1.252 1.212 1 N-CA-C 96.215 -5.476 . . . . 50.0 96.215 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.16 -21.43 15.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 106.672 -8.418 . . . . 25.0 114.299 -169.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -62.27 -18.63 61.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.367 1.247 . . . . 25.0 114.367 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -121.75 -2.5 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.54 14.96 75.14 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-O 121.914 0.73 . . . . 25.0 111.844 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -102.52 167.21 10.08 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.901 0.88 . . . . 25.0 108.877 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.431 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.3 ptt? -148.34 157.5 43.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 170.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -143.61 139.94 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.295 0.638 . . . . 25.0 109.999 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.1 114.97 5.64 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -89.83 -31.33 17.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.306 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.1 140.66 24.5 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 p -143.44 110.61 5.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.709 -2.33 . . . . 25.0 104.709 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -127.11 147.65 50.17 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.718 -1.956 . . . . 25.0 105.718 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.75 169.22 20.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.419 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 9.3 mm100 -115.93 158.2 23.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.646 -1.161 . . . . 25.0 108.64 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.42 151.52 23.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.742 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 119.294 -0.384 . . . . 25.0 110.153 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -147.55 149.48 34.18 Favored Pre-proline 0 C--O 1.237 0.405 0 N-CA-C 105.525 -2.028 . . . . 25.0 105.525 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.83 158.97 54.09 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 117.233 -1.378 . . . . 25.0 112.683 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.8 176.71 16.79 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 111.398 -0.681 . . . . 25.0 111.398 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -152.29 159.57 32.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -66.1 143.25 71.01 Favored 'Trans proline' 0 C--O 1.24 0.597 0 C-N-CA 115.333 -2.644 . . . . 25.0 113.139 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.45 153.46 30.86 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 118.529 -0.514 . . . . 25.0 112.863 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -80.7 -18.63 47.27 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt 63.91 25.27 13.93 Favored 'General case' 0 CA--C 1.462 -2.42 0 N-CA-C 113.614 0.968 . . . . 50.0 113.614 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -145.84 150.35 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 N-CA-C 103.539 -2.763 . . . . 50.0 103.539 167.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.33 -170.76 43.41 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 106.383 -2.687 . . . . 25.0 106.383 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.51 -176.33 29.44 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 109.686 -1.365 . . . . 25.0 109.686 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 85.8 Cg_endo -74.41 145.03 33.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 CA-C-N 119.186 1.493 . . . . 25.0 112.932 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ptm -148.65 155.57 41.23 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.12 143.85 26.89 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.66 158.3 25.77 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 107.496 -1.298 . . . . 25.0 107.496 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 155.93 39.52 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.85 -20.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.393 0.616 . . . . 50.0 109.81 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -70.77 -25.66 62.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.358 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.276 0.6 OUTLIER -55.21 137.45 47.15 Favored 'General case' 0 CA--C 1.448 -2.974 1 N-CA-C 122.34 4.2 . . . . 25.0 122.34 176.964 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.86 -34.44 74.6 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 112.475 -2.148 . . . . 25.0 112.206 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.73 77.74 Favored Glycine 0 C--O 1.222 -0.596 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.144 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.4 t -88.39 -54.55 7.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 CA-C-O 118.818 -0.61 . . . . 50.0 111.922 177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtm105 -50.7 -44.87 58.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -28.7 68.4 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -35.49 21.1 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.57 -58.93 5.78 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -66.04 -33.59 76.14 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -65.42 -47.96 74.43 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.8 79.21 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -77.22 -36.45 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 105.58 -2.007 . . . . 50.0 105.58 -174.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.431 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -64.21 -34.54 90.2 Favored Glycine 0 C--O 1.211 -1.308 0 N-CA-C 107.669 -2.172 . . . . 25.0 107.669 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -85.67 -28.9 24.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 122.159 0.981 . . . . 25.0 112.02 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -87.47 -62.98 1.38 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 115.806 1.78 . . . . 25.0 115.806 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -83.98 -54.85 4.57 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 112.271 -2.24 . . . . 25.0 111.067 -170.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.604 -178.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.01 -32.16 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.6 m -77.16 156.05 31.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.784 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -90.11 54.97 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.561 0.696 . . . . 25.0 109.497 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -66.42 131.77 46.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.566 0.698 . . . . 25.0 109.687 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.15 -15.03 62.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.59 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -123.98 163.79 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -81.41 112.46 18.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.7 m -117.53 144.11 45.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.439 -0.949 . . . . 25.0 108.439 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -146.45 161.53 40.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.581 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.99 102.18 4.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 100.296 -3.964 . . . . 25.0 100.296 165.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.06 -50.46 54.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 121.809 0.814 . . . . 25.0 110.447 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -143.63 121.67 12.12 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 113.872 -1.513 . . . . 25.0 109.736 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' HA ' HG22 ' A' ' 66' ' ' VAL . 2.2 t -81.98 126.57 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 106.209 -1.775 . . . . 50.0 106.209 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 t -84.61 -45.33 17.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 106.572 -1.64 . . . . 50.0 106.572 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -146.21 147.01 31.0 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.857 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.66 120.46 13.48 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.04 165.25 22.59 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 113.537 0.939 . . . . 25.0 113.537 -171.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 140.91 21.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.53 -1.668 . . . . 25.0 109.842 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.6 tm0? -98.75 129.39 45.18 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mt -100.19 139.66 21.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.15 -155.68 26.24 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 108.763 -1.735 . . . . 25.0 108.763 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -23.89 63.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.467 0.634 . . . . 25.0 109.358 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 163.29 17.43 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 104.144 -3.582 . . . . 25.0 104.144 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -128.15 129.85 69.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 CA-C-N 118.416 1.108 . . . . 50.0 108.42 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -127.12 117.0 21.53 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.111 -0.368 . . . . 25.0 110.284 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -91.78 137.93 31.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -122.29 132.37 54.38 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -127.44 131.36 50.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -121.54 130.23 53.4 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 123.483 1.611 . . . . 25.0 107.382 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.06 143.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 121.476 3.88 . . . . 50.0 121.476 -165.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -92.18 129.64 38.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.343 -1.753 . . . . 25.0 109.464 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 150.92 22.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.253 1.025 . . . . 25.0 111.505 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.63 -178.95 44.9 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 104.136 -3.586 . . . . 25.0 104.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -123.93 144.19 49.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.6 p -95.47 142.84 27.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.5 p -77.97 -21.29 51.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.146 0.498 . . . . 25.0 110.385 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.4 p -99.7 179.36 4.56 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.788 0.804 . . . . 25.0 111.549 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 p -117.2 169.28 9.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.889 -1.05 . . . . 25.0 111.577 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -60.46 -24.05 64.93 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 115.595 1.702 . . . . 25.0 115.595 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.277 0.8 OUTLIER -104.69 -14.87 15.44 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 118.07 2.619 . . . . 25.0 118.07 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.37 153.29 69.59 Favored Pre-proline 0 C--N 1.298 -1.648 0 CA-C-N 112.525 -2.125 . . . . 25.0 114.256 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.0 17.38 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 122.666 2.244 . . . . 25.0 117.6 -173.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -131.73 32.96 4.05 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.3 1.593 . . . . 25.0 115.3 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.64 -15.93 13.89 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 118.76 2.874 . . . . 50.0 118.76 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -42.22 10.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 119.983 1.265 . . . . 25.0 111.479 176.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -88.39 -34.5 17.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -172.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -55.67 38.5 Favored Pre-proline 0 C--N 1.321 -0.673 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.379 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.57 -25.66 34.53 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 113.491 -3.872 . . . . 25.0 113.489 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.66 -38.62 81.96 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.103 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -83.18 -27.5 30.0 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -68.89 -37.56 79.1 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.754 -0.591 . . . . 25.0 112.019 -177.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -54.44 -57.23 19.61 Favored Pre-proline 0 C--N 1.323 -0.556 0 C-N-CA 119.277 -0.969 . . . . 25.0 111.876 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.36 -20.1 37.15 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 114.738 -3.042 . . . . 25.0 115.039 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.742 -0.599 . . . . 25.0 109.801 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 103.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.455 0.645 . . . . 50.0 111.409 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -32.38 60.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -87.53 134.68 33.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -116.38 110.03 18.13 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.13 141.18 28.88 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 103.72 -2.696 . . . . 25.0 103.72 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -122.46 139.5 53.8 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.15 157.04 46.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.234 -0.893 . . . . 25.0 111.612 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -129.74 128.69 42.97 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -121.42 137.4 54.73 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -130.26 122.44 28.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.78 118.09 57.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -90.29 126.11 35.73 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.79 135.91 45.28 Favored 'General case' 0 CA--C 1.49 -1.335 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.19 103.0 23.09 Favored Pre-proline 0 N--CA 1.436 -1.154 1 N-CA-C 94.809 -5.997 . . . . 50.0 94.809 -173.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.1 -24.91 12.21 Favored 'Trans proline' 0 N--CA 1.455 -0.742 1 C-N-CA 106.763 -8.358 . . . . 25.0 113.982 -169.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -62.19 -34.03 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.735 -1.12 . . . . 25.0 112.415 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -97.69 -3.39 39.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.656 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.38 24.14 75.01 Favored Glycine 0 N--CA 1.461 0.341 0 CA-C-O 122.303 0.946 . . . . 25.0 112.259 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.94 167.37 14.79 Favored 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 124.241 1.017 . . . . 25.0 108.966 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.417 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 26.2 ptt? -148.28 157.27 43.39 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 170.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.6 m -139.27 139.46 37.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.3 0.64 . . . . 25.0 110.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.27 112.88 3.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.395 0.617 . . . . 50.0 109.38 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -85.01 -25.77 27.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.502 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.69 145.75 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.764 0.316 . . . . 25.0 110.547 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.29 115.73 8.07 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -132.53 145.3 51.04 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 105.655 -1.979 . . . . 25.0 105.655 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.71 169.24 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -121.47 155.27 35.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.703 -1.962 . . . . 25.0 105.703 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.2 151.47 23.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.352 0 CA-C-O 117.353 -1.308 . . . . 25.0 108.112 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -70.56 144.3 91.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.19 166.19 30.63 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 117.242 -1.372 . . . . 25.0 110.805 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.08 -165.12 48.64 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.707 -0.758 . . . . 25.0 111.453 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -146.63 146.74 27.92 Favored Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.68 163.28 37.7 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 116.99 -1.54 . . . . 25.0 110.737 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.65 141.91 56.59 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 115.699 -2.4 . . . . 25.0 110.603 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -130.4 70.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.478 0.656 . . . . 25.0 111.433 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.33 132.83 34.75 Favored 'General case' 0 CA--C 1.482 -1.667 0 CA-C-O 122.647 1.213 . . . . 50.0 108.1 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -139.16 136.59 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.371 0 CA-C-N 112.113 -2.312 . . . . 50.0 106.522 -171.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.03 -139.98 3.81 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.336 -1.106 . . . . 25.0 110.336 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.29 52.8 3.49 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 177.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.89 142.39 35.0 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 113.776 -3.682 . . . . 25.0 110.897 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.28 147.23 30.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.52 142.68 29.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.03 158.64 26.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.82 155.64 38.59 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 m -66.14 -17.66 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.737 0.78 . . . . 50.0 110.588 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.96 -23.04 48.6 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.51 -1.223 . . . . 25.0 111.649 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 144.55 25.25 Favored 'General case' 0 CA--C 1.455 -2.704 0 N-CA-C 121.397 3.851 . . . . 25.0 121.397 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -61.22 -37.73 84.08 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 113.082 -1.872 . . . . 25.0 110.776 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.23 -22.86 78.54 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 114.379 -1.282 . . . . 25.0 112.187 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.1 t -87.41 -50.01 14.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 CA-C-N 118.01 0.905 . . . . 50.0 110.715 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -50.93 -43.47 60.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.845 1.202 . . . . 25.0 113.522 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -25.75 68.23 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.23 -37.51 20.0 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.61 -62.58 1.63 Allowed 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 109.077 -0.712 . . . . 50.0 109.077 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.96 -32.07 72.24 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 123.846 0.716 . . . . 25.0 109.71 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.46 -47.99 71.35 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.2 79.58 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.288 1.2 t -72.8 -39.12 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.141 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.35 -37.08 94.28 Favored Glycine 0 N--CA 1.437 -1.282 0 N-CA-C 107.971 -2.052 . . . . 25.0 107.971 -175.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -85.19 -28.4 25.47 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.266 1.032 . . . . 25.0 112.032 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -87.01 -62.77 1.43 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -83.94 -52.01 6.69 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 112.869 -1.968 . . . . 25.0 112.037 -171.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -70.99 -30.73 67.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 25.0 109.641 -178.345 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.98 65.6 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 t -79.49 159.45 26.94 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.032 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -99.87 55.43 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.42 0.629 . . . . 25.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -64.79 130.08 42.18 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.5 mmt -68.09 -23.98 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.716 -0.675 . . . . 25.0 110.646 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -106.59 160.74 15.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.43 112.34 20.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.908 -1.515 . . . . 25.0 106.908 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -130.02 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -159.59 170.76 20.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.857 -1.535 . . . . 25.0 106.857 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.49 102.43 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.685 -2.339 . . . . 25.0 104.685 171.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.57 -45.73 29.24 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-O 122.055 0.931 . . . . 25.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -143.09 122.03 12.76 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 113.821 -1.536 . . . . 25.0 108.719 -171.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.32 128.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.388 -1.338 . . . . 50.0 107.388 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -85.28 -44.74 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -143.28 139.61 30.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.107 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.24 114.98 13.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 105.631 -1.989 . . . . 25.0 105.631 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.45 162.15 41.59 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 121.842 0.829 . . . . 25.0 111.052 -174.626 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 149.18 34.93 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.572 -1.195 . . . . 25.0 113.046 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.5 140.65 32.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.77 138.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.12 0.486 . . . . 25.0 112.01 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' ' 59' ' ' GLY . . . 154.95 -155.44 26.23 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 121.011 -0.614 . . . . 25.0 111.569 176.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 8.32 4.22 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.166 0.984 . . . . 25.0 109.732 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 57' ' ' GLY . . . -150.64 135.82 5.35 Favored Glycine 0 N--CA 1.442 -0.911 1 N-CA-C 99.843 -5.303 . . . . 25.0 99.843 174.37 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.63 138.76 53.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 105.169 -2.16 . . . . 50.0 105.169 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.17 117.67 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -91.72 111.28 22.73 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 88.2 m-85 -98.45 116.39 30.57 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -124.25 116.76 23.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -114.48 137.36 51.95 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-O 123.914 1.816 . . . . 25.0 110.042 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' HA ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.11 146.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 109.937 -3.302 . . . . 50.0 118.548 -166.425 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -107.69 127.55 53.77 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 105.681 -1.97 . . . . 25.0 105.681 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.17 158.87 15.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.24 1.019 . . . . 25.0 113.413 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.03 171.74 44.35 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 105.345 -3.102 . . . . 25.0 105.345 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -127.89 146.74 50.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 p -112.26 145.61 39.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.2 p -77.09 -19.44 57.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.822 1.415 . . . . 25.0 114.822 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -122.51 169.28 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 115.169 1.544 . . . . 25.0 115.169 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.486 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 3.2 p -104.93 171.41 7.33 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.083 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -64.42 -15.0 59.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 115.371 1.619 . . . . 25.0 115.371 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -15.09 14.18 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 118.405 2.743 . . . . 25.0 118.405 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 74' ' ' THR . 19.5 mm-40 -53.1 150.7 10.24 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 112.226 -2.261 . . . . 25.0 112.353 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.6 0.64 7.87 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 121.624 1.549 . . . . 25.0 116.12 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.13 47.7 2.38 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.38 -13.94 53.74 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.616 1.709 . . . . 50.0 115.616 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.35 -41.86 13.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.251 1.024 . . . . 25.0 109.235 176.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.42 -37.94 24.76 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 115.558 1.688 . . . . 25.0 115.558 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.8 m -63.15 -55.64 35.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 C-N-CA 119.438 -0.905 . . . . 25.0 111.046 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.41 -26.55 47.84 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 113.899 -3.601 . . . . 25.0 113.685 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.3 -40.37 90.23 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 118.011 0.369 . . . . 25.0 110.935 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -84.54 -27.86 27.05 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -68.1 -46.14 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.072 -0.392 . . . . 25.0 110.752 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.81 -50.9 84.49 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.61 -18.82 42.69 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 114.592 -3.138 . . . . 25.0 114.402 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.52 -35.43 53.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.198 0.523 . . . . 25.0 110.691 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 87.8 2.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.767 0.794 . . . . 50.0 111.429 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -124.84 7.19 8.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.627 -0.715 . . . . 25.0 112.267 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.94 121.15 25.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.04 109.79 16.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.13 118.03 19.92 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -116.69 139.46 50.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.5 m -110.61 151.56 27.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.681 -1.6 . . . . 25.0 110.869 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.1 m -129.9 113.04 14.14 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -106.72 135.48 48.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -128.51 109.97 11.86 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 mt -103.53 117.39 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -90.19 121.04 31.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.1 135.64 41.22 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.19 103.33 34.01 Favored Pre-proline 0 N--CA 1.436 -1.16 1 N-CA-C 95.859 -5.608 . . . . 50.0 95.859 -172.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.47 -21.4 15.04 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 106.871 -8.286 . . . . 25.0 113.62 -172.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -15.6 57.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -123.45 -2.64 8.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.544 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.58 16.97 76.11 Favored Glycine 0 N--CA 1.461 0.343 0 CA-C-O 122.007 0.782 . . . . 25.0 111.937 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -111.21 167.49 10.24 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 123.676 0.79 . . . . 25.0 109.184 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' MET . . . . . 0.437 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.35 157.53 43.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 169.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 m -143.7 138.19 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.071 0.548 . . . . 25.0 110.291 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.9 tp -65.44 114.03 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -86.88 -28.85 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.194 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -153.7 141.18 19.78 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.63 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.0 p -140.11 120.85 14.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.842 -2.281 . . . . 25.0 104.842 170.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -137.08 149.52 47.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 104.76 -2.311 . . . . 25.0 104.76 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 5.3 m -153.14 169.47 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.473 0.483 . . . . 25.0 111.534 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -128.01 148.68 50.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.09 151.5 25.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.86 -1.067 . . . . 25.0 110.078 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.39 0 N-CA-C 110.745 -0.942 . . . . 25.0 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -77.11 139.69 19.28 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.44 -2.573 . . . . 25.0 111.884 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 ptm -148.98 147.52 28.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 143.25 31.42 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 151.4 40.5 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 m -74.04 160.0 31.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.531 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.85 -16.1 20.5 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.02 -28.7 62.5 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.431 0.692 . . . . 25.0 110.902 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.316 4.8 mp0 -54.43 123.83 14.19 Favored 'General case' 0 CA--C 1.438 -3.327 1 N-CA-C 121.849 4.018 . . . . 25.0 121.849 169.429 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.8 pm0 -64.63 -27.84 69.21 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 112.315 -2.22 . . . . 25.0 110.96 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.07 -27.98 73.63 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 110.573 -1.011 . . . . 25.0 110.573 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.45 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -54.2 -37.78 64.91 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.777 0.831 . . . . 25.0 112.654 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -29.19 69.38 Favored 'General case' 0 C--O 1.207 -1.177 0 C-N-CA 119.744 -0.783 . . . . 25.0 112.751 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -32.59 22.07 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.26 -55.66 23.01 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.68 -36.89 83.6 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.72 -45.87 90.72 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.53 77.15 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.633 0.975 . . . . 25.0 113.633 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 31' ' ' VAL 0.276 1.1 t -72.54 -40.1 62.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.171 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -174.339 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.74 -37.25 94.52 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.6 tt0 -85.3 -28.24 25.41 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.59 1.186 . . . . 25.0 112.016 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -86.86 -63.04 1.37 Allowed 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -84.11 -53.58 5.43 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 112.461 -2.154 . . . . 25.0 111.697 -171.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.63 -30.28 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.369 -178.631 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.71 -32.11 65.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -77.38 159.52 29.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.3 139.53 58.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -76.88 101.29 5.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.8 mmm -96.6 -45.91 6.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -142.06 136.8 30.54 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 100.599 -3.852 . . . . 25.0 100.599 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.54 126.46 27.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -142.22 143.58 32.97 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -146.47 159.72 43.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.832 -1.174 . . . . 25.0 107.832 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.34 103.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 101.739 -3.43 . . . . 25.0 101.739 168.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.95 -49.85 41.03 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 122.061 0.934 . . . . 25.0 109.02 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -148.66 127.34 12.49 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 113.514 -1.675 . . . . 25.0 109.384 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.66 130.06 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.75 -40.3 11.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.178 -0.919 . . . . 50.0 109.161 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -141.67 142.85 33.36 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.56 104.87 4.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -141.75 168.56 19.46 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-O 121.579 0.704 . . . . 25.0 110.88 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 152.95 35.53 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.831 -1.077 . . . . 25.0 111.071 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' A' ' 61' ' ' ASN . 33.5 tt0 -98.95 130.3 45.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.94 127.74 67.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.8 -158.63 31.56 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 109.348 -1.501 . . . . 25.0 109.348 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -22.65 67.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.215 0.508 . . . . 25.0 110.945 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.48 137.79 10.52 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 104.45 -3.46 . . . . 25.0 104.45 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.83 113.86 43.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 CA-C-N 118.134 0.967 . . . . 50.0 108.486 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 4.5 m120 -112.2 118.1 34.38 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -91.72 133.29 35.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 91.6 m-85 -123.18 115.01 21.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.54 129.96 52.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -119.79 138.77 53.15 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 123.683 1.706 . . . . 25.0 107.878 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 140.93 22.69 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.474 0 CA-C-N 109.851 -3.341 . . . . 50.0 119.525 -167.71 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.41 123.08 36.46 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.44 159.63 14.88 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.15 161.47 35.3 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.308 -1.117 . . . . 25.0 110.308 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.43 126.24 30.58 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 100.912 -3.736 . . . . 25.0 100.912 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 p -88.62 142.97 27.25 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 119.636 -0.826 . . . . 25.0 111.123 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 p -72.14 -17.12 61.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.429 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.1 m -125.27 172.35 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.548 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.7 p -111.93 175.0 5.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.02 0.914 . . . . 25.0 111.067 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.641 1.719 . . . . 25.0 115.641 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.274 0.8 OUTLIER -106.77 -14.18 15.06 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 117.037 2.236 . . . . 25.0 117.037 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.548 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.0 mm100 -69.3 153.48 95.86 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 111.884 -2.417 . . . . 25.0 111.758 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.48 177.98 8.13 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 121.779 1.652 . . . . 25.0 113.032 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 60.96 40.29 15.57 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.18 -10.4 1.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 117.104 2.261 . . . . 25.0 117.104 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.33 -41.82 17.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.408 1.099 . . . . 25.0 110.139 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -83.42 -37.42 23.25 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 114.206 1.188 . . . . 25.0 114.206 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.62 -53.88 61.03 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.995 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.35 -24.4 37.2 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 115.642 -2.438 . . . . 25.0 114.021 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.25 -39.57 83.25 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -81.69 -19.63 41.19 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.63 -37.39 70.89 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.797 -0.564 . . . . 25.0 111.1 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.33 -56.59 20.93 Favored Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -69.22 -14.86 38.53 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 115.117 -2.789 . . . . 25.0 114.02 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.16 -16.55 54.64 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.024 -0.422 . . . . 25.0 111.199 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.63 90.69 0.4 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.036 0.446 . . . . 25.0 111.32 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.52 -32.3 71.05 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -115.59 123.83 49.43 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 100.885 -3.746 . . . . 25.0 100.885 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -86.79 109.8 19.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 128.57 34.69 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.78 -1.193 . . . . 25.0 107.78 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -122.84 141.31 52.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.142 0.972 . . . . 25.0 109.466 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.34 157.09 42.87 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.08 -1.418 . . . . 25.0 110.309 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -129.67 125.74 36.7 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 107.688 -1.226 . . . . 25.0 107.688 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -119.26 132.8 55.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -126.64 121.58 32.55 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.46 120.65 63.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -91.55 120.92 32.78 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.77 134.78 42.17 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 104.213 -2.514 . . . . 25.0 104.213 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.2 t -101.63 103.08 25.61 Favored Pre-proline 0 N--CA 1.432 -1.359 1 N-CA-C 95.926 -5.583 . . . . 50.0 95.926 -172.347 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.0 -21.6 15.68 Favored 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 106.841 -8.306 . . . . 25.0 114.65 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -61.13 -20.74 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.058 -0.974 . . . . 25.0 113.506 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.71 -3.4 10.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.116 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.17 14.78 74.13 Favored Glycine 0 N--CA 1.46 0.273 0 CA-C-O 121.664 0.591 . . . . 25.0 112.01 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -103.91 167.32 9.85 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 123.66 0.784 . . . . 25.0 109.091 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.6 ptt? -148.29 157.66 43.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.5 m -142.61 140.01 31.52 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.145 0.578 . . . . 25.0 110.027 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.5 113.48 4.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.64 0.733 . . . . 25.0 109.412 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -83.45 -34.18 25.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 25.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.42 141.52 22.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 25.0 111.795 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 116.89 12.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -133.3 147.15 51.87 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.61 170.24 19.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -173.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -124.77 159.73 30.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.509 -1.223 . . . . 25.0 109.061 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.32 151.39 23.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.71 0.404 . . . . 25.0 111.497 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 117.113 -1.423 . . . . 25.0 111.092 -178.297 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.74 148.4 58.64 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.928 -2.915 . . . . 25.0 111.081 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.6 ptp -148.75 149.08 30.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.787 0.291 . . . . 25.0 111.787 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.43 128.62 38.34 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.087 -3.672 . . . . 25.0 101.087 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.43 160.16 20.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.69 156.21 32.73 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.473 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.0 m -69.03 -19.7 24.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -74.22 -24.04 59.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.398 -1.273 . . . . 25.0 111.425 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.28 0.8 OUTLIER -53.99 136.11 41.79 Favored 'General case' 0 CA--C 1.44 -3.271 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.02 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.26 -32.6 74.05 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 113.367 -1.742 . . . . 25.0 112.044 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.99 74.59 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.176 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.3 t -88.02 -50.92 13.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 117.601 0.7 . . . . 50.0 111.754 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -50.12 -47.02 54.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.995 0.518 . . . . 25.0 112.223 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -28.49 69.54 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.6 24.05 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.21 -54.85 23.21 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.21 -35.85 80.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 123.615 0.572 . . . . 25.0 109.498 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -61.4 -46.41 90.28 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.68 82.79 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.265 1.1 t -74.71 -38.86 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.28 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 -173.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.51 -36.78 93.66 Favored Glycine 0 C--O 1.207 -1.584 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.2 tt0 -85.47 -27.99 25.32 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.416 1.103 . . . . 25.0 111.541 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -86.81 -63.56 1.29 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -83.5 -52.56 6.38 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 112.404 -2.18 . . . . 25.0 112.266 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -71.04 -30.18 66.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.248 -178.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.95 -32.08 66.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -77.74 158.04 29.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.446 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -93.7 55.45 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.383 0.611 . . . . 25.0 111.214 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -66.2 130.84 44.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.636 0.731 . . . . 25.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.45 -25.48 63.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.029 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.41 162.43 13.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -88.53 112.4 22.96 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -121.1 143.54 49.03 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -151.35 168.98 23.12 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.54 103.43 2.49 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 102.289 -3.226 . . . . 25.0 102.289 171.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.63 -45.08 84.44 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-O 121.397 0.618 . . . . 25.0 110.754 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -161.68 136.67 7.3 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.14 -1.391 . . . . 25.0 108.212 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.678 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.95 136.87 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.522 0.677 . . . . 50.0 110.185 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.53 -44.09 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.02 140.18 34.26 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.11 118.3 12.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.55 166.25 32.61 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.77 28.12 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.711 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -104.1 135.82 44.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.69 134.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.04 -145.86 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 105.423 -3.071 . . . . 25.0 105.423 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.53 -24.8 66.87 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.178 0.989 . . . . 25.0 110.056 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.79 162.2 21.69 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 105.296 -3.122 . . . . 25.0 105.296 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -119.18 130.81 73.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -132.96 117.03 17.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.884 0.373 . . . . 25.0 110.539 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.88 136.78 32.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.454 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 90.3 m-85 -123.4 113.34 18.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -121.07 119.77 33.42 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -114.24 135.22 54.3 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 123.193 1.473 . . . . 25.0 107.194 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -142.59 144.16 24.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 121.267 3.803 . . . . 50.0 121.267 -163.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -93.71 131.33 39.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.766 -1.561 . . . . 25.0 108.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.38 159.4 15.02 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.73 160.45 25.33 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 106.146 -2.782 . . . . 25.0 106.146 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -102.89 148.73 25.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.5 p -88.85 143.53 26.83 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -70.35 -19.52 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 25.0 111.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.9 m -121.58 171.73 8.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.548 . . . . 25.0 110.614 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 4.4 p -104.97 174.06 6.04 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 122.011 0.91 . . . . 25.0 111.433 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -61.85 -21.95 65.1 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.257 0.7 OUTLIER -105.78 -14.77 15.14 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 118.414 2.746 . . . . 25.0 118.414 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 74' ' ' THR . 32.2 mm-40 -55.51 153.39 14.88 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 112.591 -2.095 . . . . 25.0 113.387 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.98 -18.46 65.27 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 N-CA-C 119.323 2.778 . . . . 25.0 119.323 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -131.54 64.47 1.59 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.78 -10.48 20.14 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -42.27 13.4 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.521 1.153 . . . . 25.0 110.335 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -86.43 -34.32 20.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 -171.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.05 -55.41 37.58 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 119.519 -0.873 . . . . 25.0 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.25 -24.77 43.51 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 114.908 -2.928 . . . . 25.0 114.373 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.2 -43.14 92.23 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.05 -26.42 33.75 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.36 -52.34 66.04 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.906 -0.496 . . . . 25.0 111.308 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -56.49 24.14 Favored Pre-proline 0 CA--C 1.508 -0.646 0 C-N-CA 119.159 -1.016 . . . . 25.0 113.722 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.18 -26.59 36.06 Favored 'Trans proline' 0 N--CA 1.452 -0.933 1 C-N-CA 111.623 -5.118 . . . . 25.0 115.967 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -73.87 -25.64 60.14 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.959 -0.463 . . . . 25.0 112.187 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.66 83.41 1.58 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -34.84 77.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.77 133.32 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -124.53 144.55 50.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.73 152.63 45.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.116 -2.179 . . . . 25.0 105.116 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -124.24 139.78 53.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.405 1.097 . . . . 25.0 113.733 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.73 160.12 23.17 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.249 -1.341 . . . . 25.0 111.04 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -129.88 117.42 20.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.839 -1.541 . . . . 25.0 106.839 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -113.35 134.04 54.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 38.8 tt0 -129.17 117.55 20.97 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.11 119.07 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -91.54 125.82 36.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.798 -1.926 . . . . 25.0 105.798 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.57 133.85 46.88 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.58 103.01 24.91 Favored Pre-proline 0 N--CA 1.433 -1.278 1 N-CA-C 96.473 -5.38 . . . . 50.0 96.473 -171.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.13 -23.56 13.46 Favored 'Trans proline' 0 N--CA 1.452 -0.915 1 C-N-CA 106.537 -8.508 . . . . 25.0 114.959 -167.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.31 -30.25 68.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.127 -0.942 . . . . 25.0 113.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -106.73 -4.85 18.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.57 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.1 17.89 77.52 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-O 121.931 0.74 . . . . 25.0 111.609 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -108.99 167.43 10.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.9 ptp -148.28 157.54 43.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 169.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -145.17 141.98 29.2 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.871 0.468 . . . . 25.0 110.385 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.06 110.72 3.06 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.883 0.849 . . . . 25.0 109.395 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 42.8 t -84.81 -26.58 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.098 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 3.5 ttmt -150.06 135.62 18.28 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.69 108.22 6.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -127.46 147.03 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.599 -2.0 . . . . 25.0 105.599 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 m -148.35 173.4 13.09 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.34 152.29 51.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.03 -2.582 . . . . 25.0 104.03 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.7 151.55 23.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.13 0.49 . . . . 25.0 111.87 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 116.59 -1.672 . . . . 25.0 107.368 -179.805 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 CA-C-O 118.939 -0.923 . . . . 25.0 114.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 90.1 Cg_endo -79.2 140.07 15.33 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 115.534 -2.511 . . . . 25.0 115.372 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.75 146.91 31.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.721 -1.127 . . . . 25.0 108.859 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -85.1 145.74 27.5 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.02 156.76 35.89 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.08 158.21 33.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' HA ' HG11 ' A' ' 23' ' ' VAL . 12.4 m -69.58 -16.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -70.85 -29.24 65.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.805 -1.089 . . . . 25.0 111.19 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.281 0.8 OUTLIER -56.06 141.86 38.56 Favored 'General case' 0 CA--C 1.457 -2.598 1 N-CA-C 122.08 4.104 . . . . 25.0 122.08 179.462 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.25 -41.87 80.44 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 112.503 -2.135 . . . . 25.0 111.946 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.08 -25.69 74.34 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.182 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 18' ' ' VAL . 73.4 t -86.35 -48.88 15.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 CA-C-N 117.813 0.807 . . . . 50.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -53.0 -40.91 64.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.133 0.879 . . . . 25.0 112.728 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -27.53 65.26 Favored 'General case' 0 C--O 1.206 -1.218 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -28.5 25.37 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.25 -62.66 1.61 Allowed 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -70.36 -32.89 70.77 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 123.517 0.511 . . . . 25.0 111.226 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.58 -49.21 78.44 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.35 82.98 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 114.595 1.332 . . . . 25.0 114.595 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.275 1.1 t -74.72 -36.39 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.19 0 N-CA-C 106.934 -1.506 . . . . 50.0 106.934 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.55 92.2 Favored Glycine 0 C--O 1.207 -1.553 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 80.7 tt0 -85.82 -28.19 24.63 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 122.177 0.989 . . . . 25.0 111.766 -176.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.88 -62.97 1.39 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 116.448 2.018 . . . . 25.0 116.448 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -84.23 -52.14 6.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.254 -2.248 . . . . 25.0 112.143 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.84 -31.56 68.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.96 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.54 -31.81 67.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -75.24 152.54 38.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.522 -0.763 . . . . 25.0 109.719 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -85.67 55.54 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 25.0 110.201 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.59 127.61 33.66 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.003 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mmt -67.25 -21.67 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -136.33 161.89 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -65.72 133.88 51.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.757 0.313 . . . . 25.0 111.15 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -143.13 149.11 37.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -154.94 167.31 30.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.42 104.76 2.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 102.419 -3.178 . . . . 25.0 102.419 167.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.83 -47.96 64.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.616 0.722 . . . . 25.0 111.425 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -154.94 138.04 15.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.45 -1.25 . . . . 25.0 107.64 -171.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.67 129.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.429 0.633 . . . . 50.0 109.4 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.3 t -86.0 -43.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -145.19 140.82 28.19 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.41 114.2 12.66 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 104.916 -2.254 . . . . 25.0 104.916 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.64 168.33 25.97 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 121.45 0.643 . . . . 25.0 109.926 -176.585 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.79 164.45 35.27 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.026 -0.988 . . . . 25.0 109.479 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 30.2 tt0 -134.58 120.74 19.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.79 137.82 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.79 -159.53 23.81 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 107.711 -2.156 . . . . 25.0 107.711 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.87 69.0 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.871 0.836 . . . . 25.0 109.155 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.47 148.7 16.98 Favored Glycine 0 N--CA 1.448 -0.543 1 N-CA-C 101.896 -4.482 . . . . 25.0 101.896 172.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.2 t -119.94 131.64 71.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -125.01 124.76 42.66 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.014 -0.428 . . . . 25.0 110.627 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.07 134.24 45.62 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 39.7 m-85 -123.41 114.79 20.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.548 -1.649 . . . . 25.0 106.548 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 117.01 24.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.78 136.21 53.1 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 122.922 1.344 . . . . 25.0 108.812 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -147.74 143.24 19.66 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.183 1 N-CA-C 121.931 4.048 . . . . 50.0 121.931 -163.06 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.46 134.38 34.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.182 -1.372 . . . . 25.0 108.973 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.8 mp -110.85 138.09 47.68 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.57 153.51 24.82 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 107.155 -2.378 . . . . 25.0 107.155 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -79.58 132.93 36.41 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 102.199 -3.259 . . . . 25.0 102.199 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -88.83 142.9 27.27 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.428 -0.909 . . . . 25.0 110.263 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -74.03 -15.85 61.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.398 0.618 . . . . 25.0 109.708 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.91 163.89 12.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.261 1.029 . . . . 25.0 111.179 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.404 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 18.9 p -109.11 173.34 6.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.86 -22.44 64.26 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.34 -15.02 15.56 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 119.464 3.135 . . . . 25.0 119.464 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 74' ' ' THR . 16.3 mm-40 -55.35 147.13 38.82 Favored Pre-proline 0 C--N 1.296 -1.754 0 CA-C-N 112.413 -2.176 . . . . 25.0 114.374 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.08 -16.49 14.07 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.239 1.292 . . . . 25.0 115.268 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.74 33.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.34 -11.19 13.99 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.66 2.096 . . . . 25.0 116.66 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.99 -42.12 14.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.737 1.256 . . . . 25.0 109.319 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.18 -36.17 27.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -173.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.66 -57.44 26.46 Favored Pre-proline 0 C--O 1.215 -0.728 0 C-N-CA 120.337 -0.545 . . . . 25.0 111.307 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.11 -25.68 43.51 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 114.351 -3.299 . . . . 25.0 114.008 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -61.86 -35.02 77.07 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.83 -37.16 35.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.229 0.538 . . . . 25.0 111.989 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.77 -38.74 80.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -58.1 -55.26 47.16 Favored Pre-proline 0 N--CA 1.472 0.672 0 N-CA-C 113.075 0.769 . . . . 25.0 113.075 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.65 -13.06 36.32 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 113.425 -3.917 . . . . 25.0 113.737 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -79.05 -6.91 57.53 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.802 -0.561 . . . . 25.0 110.65 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.88 68.69 0.9 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 122.179 0.99 . . . . 25.0 111.316 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -85.72 14.71 5.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.693 0.759 . . . . 25.0 110.032 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -138.1 150.15 46.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 101.5 -3.519 . . . . 25.0 101.5 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 134.07 35.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 118.839 -0.601 . . . . 25.0 109.471 -167.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.55 113.33 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.657 -1.217 . . . . 25.0 112.618 160.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -124.57 139.6 53.72 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 106.979 -1.489 . . . . 25.0 106.979 165.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 68' ' ' LEU . 75.3 m -120.09 158.36 27.03 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 123.725 0.81 . . . . 25.0 110.286 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -129.83 112.56 13.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.43 -0.805 . . . . 25.0 108.939 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -104.93 126.91 52.5 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -127.04 110.99 13.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.8 mt -102.37 129.86 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -98.76 125.01 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.53 134.93 46.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.66 103.37 27.66 Favored Pre-proline 0 N--CA 1.433 -1.28 1 N-CA-C 95.813 -5.625 . . . . 50.0 95.813 -171.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.08 -25.57 11.61 Favored 'Trans proline' 0 N--CA 1.454 -0.795 1 C-N-CA 106.319 -8.654 . . . . 25.0 114.112 -170.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -60.93 -30.2 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.745 -1.116 . . . . 25.0 112.351 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -103.54 -1.67 27.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.675 -0.693 . . . . 25.0 112.322 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.1 30.01 76.82 Favored Glycine 0 N--CA 1.467 0.736 0 CA-C-O 122.527 1.071 . . . . 25.0 112.219 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.05 167.41 19.76 Favored 'General case' 0 CA--C 1.498 -1.056 0 C-N-CA 124.205 1.002 . . . . 25.0 108.743 -174.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.453 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.1 ptp -148.2 157.55 43.56 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 171.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -144.62 141.62 29.53 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 123.192 0.597 . . . . 25.0 109.409 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.42 115.61 5.86 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -83.93 -34.19 24.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.903 -0.589 . . . . 25.0 109.79 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -151.28 138.33 19.15 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.43 47.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 102.917 -2.994 . . . . 25.0 102.917 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.8 t -145.92 156.56 43.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 105.947 -1.871 . . . . 25.0 105.947 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 10.3 m -146.68 177.81 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.446 0.466 . . . . 25.0 112.135 -174.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -106.62 150.02 26.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.9 138.37 35.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.099 -1.075 . . . . 25.0 108.099 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.219 -0.896 . . . . 25.0 112.827 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 109.276 -1.53 . . . . 25.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -65.17 151.51 85.25 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 119.208 1.504 . . . . 25.0 114.182 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -149.01 147.83 29.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.13 150.27 23.44 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 173.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.4 155.83 36.62 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -74.43 155.2 38.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -69.64 -17.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.771 -1.196 . . . . 50.0 107.771 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -74.24 -24.4 59.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.719 -1.128 . . . . 25.0 111.174 175.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 1.0 OUTLIER -57.86 131.68 51.09 Favored 'General case' 0 CA--C 1.435 -3.462 0 N-CA-C 120.629 3.566 . . . . 25.0 120.629 172.543 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.98 -33.34 75.19 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 113.681 -1.6 . . . . 25.0 112.209 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.95 -27.62 69.0 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.989 -0.845 . . . . 25.0 110.989 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.23 -51.96 12.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-O 119.1 -0.476 . . . . 50.0 111.208 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -49.35 -47.24 47.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.404 0.681 . . . . 25.0 112.764 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -29.54 70.82 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.51 24.29 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.32 -60.06 4.11 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.56 -31.46 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.379 0.424 . . . . 25.0 110.517 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.36 -49.7 75.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.61 74.51 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.711 1.374 . . . . 25.0 114.711 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 31' ' ' VAL 0.274 1.2 t -76.09 -35.71 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -175.551 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.86 -34.1 89.03 Favored Glycine 0 C--O 1.211 -1.329 0 N-CA-C 106.982 -2.447 . . . . 25.0 106.982 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -85.31 -31.08 23.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.85 0.833 . . . . 25.0 112.274 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -87.67 -62.95 1.38 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.32 -51.86 6.66 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 111.743 -2.48 . . . . 25.0 111.879 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.829 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.09 70.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -77.52 157.92 30.15 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.393 -0.822 . . . . 25.0 109.563 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -93.64 57.34 2.53 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.543 0.687 . . . . 25.0 111.14 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.25 132.1 48.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.501 0.667 . . . . 25.0 110.15 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.9 mtm -67.59 -20.61 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.821 . . . . 25.0 112.184 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.72 161.84 19.43 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -78.17 112.5 15.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 m -124.18 139.68 53.69 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.24 171.08 20.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.856 -0.338 . . . . 25.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -67.74 102.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -45.15 72.96 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.423 0.63 . . . . 25.0 112.55 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -153.13 131.13 11.79 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.496 -1.229 . . . . 25.0 108.386 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.96 130.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -86.33 -43.91 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -144.97 143.53 30.57 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.747 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.98 12.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.906 -2.257 . . . . 25.0 104.906 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.54 163.67 39.13 Favored 'General case' 0 CA--C 1.479 -1.782 0 CA-C-O 121.553 0.692 . . . . 25.0 110.306 -174.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 137.3 47.91 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 114.512 -1.222 . . . . 25.0 110.871 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -98.59 133.34 43.08 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.386 -2.45 . . . . 25.0 104.386 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.0 138.99 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.53 -134.8 2.17 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.07 -8.76 51.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.627 0.713 . . . . 25.0 110.729 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.16 31.63 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 104.293 -3.523 . . . . 25.0 104.293 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.09 137.76 56.73 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 118.763 1.281 . . . . 50.0 107.793 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -133.45 124.99 28.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.691 -0.631 . . . . 25.0 109.754 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.22 114.28 26.35 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 42.6 m-85 -99.76 115.92 30.65 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.62 123.95 48.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -118.84 134.15 55.36 Favored 'General case' 0 CA--C 1.484 -1.566 0 CA-C-O 123.322 1.534 . . . . 25.0 107.641 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.75 142.74 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.308 0 N-CA-C 121.428 3.862 . . . . 50.0 121.428 -163.575 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -94.05 133.2 37.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.459 -1.701 . . . . 25.0 108.756 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.16 150.84 20.69 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.878 0.847 . . . . 25.0 112.31 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.5 175.95 45.53 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 105.853 -2.899 . . . . 25.0 105.853 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -122.81 146.68 47.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.1 p -106.4 142.86 35.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 25.0 110.578 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 p -73.96 -23.72 59.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.937 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 63.8 m -123.46 174.43 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.759 0.79 . . . . 25.0 111.969 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.683 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.5 p -136.59 178.76 6.82 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 114.632 -1.167 . . . . 25.0 110.116 -174.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -58.0 -25.24 60.81 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 116.627 2.084 . . . . 25.0 116.627 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.296 0.7 OUTLIER -107.82 -14.59 14.75 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 116.137 1.903 . . . . 25.0 116.137 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HB2' ' H ' ' A' ' 74' ' ' THR . 8.0 mm100 -75.65 153.41 85.39 Favored Pre-proline 0 C--N 1.296 -1.737 0 CA-C-N 111.453 -2.612 . . . . 25.0 108.366 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.15 170.61 19.99 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 121.42 1.413 . . . . 25.0 113.999 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 57.99 49.95 10.96 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.268 1.951 . . . . 25.0 116.268 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.99 -10.46 9.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -42.19 13.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.762 1.268 . . . . 25.0 109.118 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -87.23 -35.03 18.75 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.9 m -62.93 -57.41 21.55 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.586 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -67.86 -25.31 39.21 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 114.382 -3.278 . . . . 25.0 114.351 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.25 -36.93 78.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.259 0.481 . . . . 25.0 109.971 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -83.71 -32.56 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -61.91 -46.17 90.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.77 -55.12 48.2 Favored Pre-proline 0 N--CA 1.475 0.807 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -70.73 -14.2 32.84 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 114.366 -3.289 . . . . 25.0 115.146 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -68.83 -26.09 64.99 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.584 -0.697 . . . . 25.0 110.839 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.74 92.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.071 1.508 . . . . 25.0 115.071 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.65 59.5 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 173.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.78 134.98 35.11 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -126.74 134.5 50.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.85 143.88 29.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.826 -1.916 . . . . 25.0 105.826 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -124.19 138.82 54.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.45 158.16 20.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.273 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 m -129.88 127.06 39.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.46 131.19 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -122.68 107.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -100.44 118.73 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -90.34 121.62 32.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.87 135.62 41.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.572 -2.381 . . . . 25.0 104.572 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.41 103.32 20.07 Favored Pre-proline 0 N--CA 1.435 -1.208 1 N-CA-C 95.835 -5.617 . . . . 50.0 95.835 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.3 -20.26 16.45 Favored 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 106.823 -8.318 . . . . 25.0 114.336 -168.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -64.18 -17.73 63.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.416 -1.266 . . . . 25.0 114.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -122.31 -2.16 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.024 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.36 15.72 75.11 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-O 121.734 0.63 . . . . 25.0 111.932 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.0 p -103.34 166.98 10.1 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 123.745 0.818 . . . . 25.0 108.876 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.2 ptt? -148.1 157.6 43.6 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.4 m -143.76 140.04 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.492 0.717 . . . . 25.0 110.356 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.48 117.32 7.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 121.614 0.721 . . . . 25.0 109.686 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -89.26 -32.07 17.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.287 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -152.58 140.3 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.622 0.248 . . . . 25.0 111.541 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.57 124.95 26.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 104.391 -2.448 . . . . 25.0 104.391 170.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -140.71 149.51 42.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -147.71 175.9 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.199 -2.149 . . . . 25.0 105.199 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -76.46 145.52 39.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.233 -0.889 . . . . 25.0 109.707 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.342 0 N-CA-C 111.682 -0.567 . . . . 25.0 111.682 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.21 159.82 17.74 Favored 'Trans proline' 0 C--N 1.342 0.22 0 N-CA-C 115.325 1.24 . . . . 25.0 115.325 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -148.88 148.68 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.19 142.8 27.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 103.726 -2.694 . . . . 25.0 103.726 172.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.12 158.1 30.03 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.75 155.65 39.74 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' HA ' HG11 ' A' ' 23' ' ' VAL . 13.7 m -65.04 -18.71 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 50.0 111.942 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.65 -23.77 45.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.109 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.18 143.11 34.56 Favored 'General case' 0 CA--C 1.453 -2.75 1 N-CA-C 122.036 4.087 . . . . 25.0 122.036 178.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.09 -40.69 77.43 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 112.218 -2.265 . . . . 25.0 111.774 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.76 -21.38 78.92 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.55 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 18' ' ' VAL . 97.5 t -88.73 -49.21 14.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 117.919 0.86 . . . . 50.0 110.469 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -52.02 -43.16 63.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.532 0.568 . . . . 25.0 112.532 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.67 69.27 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -33.79 21.67 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -57.22 -62.5 1.72 Allowed 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -70.13 -32.11 69.96 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 123.919 0.762 . . . . 25.0 110.207 -171.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.41 -47.83 74.91 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.17 68.3 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.1 t -70.8 -41.41 77.39 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.5 -38.31 96.13 Favored Glycine 0 C--O 1.208 -1.509 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -175.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tt0 -85.3 -27.45 25.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 122.363 1.078 . . . . 25.0 111.807 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -87.28 -62.98 1.38 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 123.919 1.818 . . . . 25.0 115.108 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -84.47 -51.18 7.11 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 112.028 -2.351 . . . . 25.0 113.297 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.7 -32.12 69.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 -179.411 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -69.88 -32.11 70.28 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -75.49 151.68 37.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.54 -0.754 . . . . 25.0 109.528 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -87.67 52.13 2.4 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 25.0 111.785 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -70.62 129.53 39.43 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.437 0.637 . . . . 25.0 109.628 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.7 mtp -69.86 -14.48 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.01 156.86 39.22 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 105.008 -2.219 . . . . 25.0 105.008 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -79.6 112.34 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.294 -1.362 . . . . 25.0 109.959 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -88.37 140.43 29.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 103.222 -2.881 . . . . 25.0 103.222 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -147.2 146.91 30.0 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.245 -0.889 . . . . 25.0 112.08 -172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.64 102.24 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 102.911 -2.996 . . . . 25.0 102.911 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.98 -48.28 58.82 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 122.107 0.956 . . . . 25.0 111.07 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -147.61 127.64 13.67 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 113.7 -1.591 . . . . 25.0 108.537 -171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.83 126.87 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -85.11 -45.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -145.22 145.82 31.46 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.99 103.14 4.56 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -140.09 166.08 25.63 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.769 0.795 . . . . 25.0 111.869 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 145.9 26.53 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.927 -1.033 . . . . 25.0 112.563 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -98.71 139.36 34.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.89 129.45 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.9 -151.37 13.03 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 107.912 -2.075 . . . . 25.0 107.912 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.61 66.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 117.49 0.645 . . . . 25.0 110.26 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.26 153.03 18.44 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 104.473 -3.451 . . . . 25.0 104.473 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.2 123.12 68.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 105.749 -1.945 . . . . 50.0 105.749 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.23 120.37 32.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.62 134.43 34.7 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.5 m-85 -122.99 113.8 19.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.61 -2.367 . . . . 25.0 104.61 175.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -113.64 133.7 55.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 123.535 1.636 . . . . 25.0 108.978 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 49' ' ' VAL 0.264 0.9 OUTLIER -145.9 140.47 21.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 N-CA-C 121.036 3.717 . . . . 50.0 121.036 -165.581 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -90.26 134.87 34.02 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 112.915 -1.948 . . . . 25.0 107.788 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.58 151.76 26.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.64 1.209 . . . . 25.0 113.466 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.18 168.39 40.39 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 103.432 -3.867 . . . . 25.0 103.432 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -113.27 136.47 52.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.518 -1.66 . . . . 25.0 106.518 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -116.25 146.98 41.94 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.107 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.7 p -88.75 -24.44 22.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.546 1.313 . . . . 25.0 114.546 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.0 m -99.79 152.42 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.439 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -107.36 171.45 7.37 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.183 0.992 . . . . 25.0 111.163 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -23.48 64.49 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.017 1.858 . . . . 25.0 116.017 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.262 0.8 OUTLIER -107.56 -15.19 14.66 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.439 ' HB2' ' H ' ' A' ' 74' ' ' THR . 32.9 mt-30 -73.61 153.49 89.58 Favored Pre-proline 0 C--N 1.297 -1.675 0 CA-C-N 111.601 -2.545 . . . . 25.0 108.863 172.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.2 170.8 17.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 120.483 0.789 . . . . 25.0 113.796 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 63.28 44.2 5.74 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.8 -16.86 59.93 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.34 -42.11 23.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.133 0.968 . . . . 25.0 109.305 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -79.44 -43.7 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -172.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.32 -60.8 9.06 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 119.655 -0.818 . . . . 25.0 111.37 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.3 Cg_endo -66.87 -24.79 46.0 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 115.021 -2.853 . . . . 25.0 114.751 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.35 -40.08 92.93 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.548 0.613 . . . . 25.0 110.549 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.57 -30.44 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 69.0 m-20 -62.03 -47.67 83.69 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.078 -0.389 . . . . 25.0 111.299 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -54.23 -56.0 30.94 Favored Pre-proline 0 N--CA 1.471 0.621 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.13 -22.04 47.81 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 115.453 -2.565 . . . . 25.0 115.845 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.186 -0.321 . . . . 25.0 111.583 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 84.65 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -33.79 70.59 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -86.03 90.1 8.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -74.67 110.14 8.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.893 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 133.28 35.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.2 139.92 53.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.93 0.871 . . . . 25.0 110.344 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.9 m -127.41 157.67 39.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.359 -1.291 . . . . 25.0 110.52 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.3 m -129.88 131.96 46.25 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.95 131.06 53.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.54 114.59 19.61 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.88 122.82 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.91 124.78 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.78 133.89 47.09 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -101.16 103.25 24.61 Favored Pre-proline 0 N--CA 1.433 -1.311 1 N-CA-C 97.365 -5.05 . . . . 50.0 97.365 -171.148 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.57 -21.58 14.69 Favored 'Trans proline' 0 N--CA 1.452 -0.953 1 C-N-CA 106.528 -8.514 . . . . 25.0 115.14 -169.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.21 -29.13 65.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.652 -0.704 . . . . 25.0 112.884 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -111.23 -3.45 15.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.841 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.18 75.7 Favored Glycine 0 N--CA 1.461 0.327 0 CA-C-O 121.917 0.732 . . . . 25.0 111.694 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 p -103.8 167.43 9.79 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 123.926 0.89 . . . . 25.0 109.225 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.436 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.2 ptt? -148.27 156.97 43.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 169.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.7 m -141.72 139.46 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.288 0.635 . . . . 25.0 109.77 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.61 114.0 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -85.21 -31.33 23.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.195 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -153.41 140.99 19.88 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.846 0.355 . . . . 25.0 111.667 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 p -135.65 121.94 20.41 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 102.843 -3.021 . . . . 25.0 102.843 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -134.89 148.44 50.09 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 104.883 -2.266 . . . . 25.0 104.883 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.8 175.26 11.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -126.88 151.99 47.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 174.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.25 143.25 55.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 CA-C-O 117.908 -1.044 . . . . 25.0 109.586 179.644 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.303 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.26 147.13 20.3 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 116.339 -1.974 . . . . 25.0 113.309 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.7 ptm -148.88 148.71 30.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.21 150.55 24.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.015 -2.957 . . . . 25.0 103.015 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.47 156.0 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 104.756 -2.313 . . . . 25.0 104.756 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -75.77 155.57 35.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.67 -19.24 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -72.22 -30.65 65.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.971 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.295 1.0 OUTLIER -52.42 135.42 33.41 Favored 'General case' 0 CA--C 1.442 -3.185 0 N-CA-C 121.264 3.802 . . . . 25.0 121.264 176.493 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.43 -33.78 76.3 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 113.417 -1.719 . . . . 25.0 111.727 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.16 -22.89 72.9 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.146 -0.934 . . . . 25.0 111.441 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -88.73 -49.79 13.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 CA-C-N 117.916 0.858 . . . . 50.0 110.115 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -50.55 -47.39 57.76 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.199 0.454 . . . . 25.0 111.76 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -27.87 69.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.47 -32.06 22.47 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.9 -57.3 10.23 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.78 -35.23 79.6 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.484 0.49 . . . . 25.0 109.822 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.04 -48.91 79.56 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.99 79.55 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 31' ' ' VAL 0.283 1.1 t -73.97 -38.6 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.29 0 N-CA-C 106.635 -1.617 . . . . 50.0 106.635 -174.062 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.32 -36.21 93.09 Favored Glycine 0 C--O 1.211 -1.285 0 N-CA-C 107.946 -2.062 . . . . 25.0 107.946 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.8 tt0 -85.26 -28.9 25.04 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 122.481 1.134 . . . . 25.0 112.134 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.22 -62.91 1.39 Allowed 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.53 -52.0 6.46 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.172 -2.286 . . . . 25.0 112.015 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -71.77 -29.98 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.966 -178.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.58 -32.06 67.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -73.17 151.26 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -87.09 54.59 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.593 0.711 . . . . 25.0 111.141 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.39 128.93 37.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.491 0.662 . . . . 25.0 110.285 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.5 mmt -72.82 -17.28 61.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.625 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.99 165.14 12.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.66 112.52 18.92 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -113.94 134.95 54.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -150.48 164.55 35.65 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -71.74 102.08 2.73 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 102.657 -3.09 . . . . 25.0 102.657 169.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -48.48 81.52 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -157.57 136.0 11.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.891 -1.05 . . . . 25.0 108.75 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.18 130.59 35.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.6 t -87.33 -45.87 16.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -146.5 151.02 36.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.76 118.98 8.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.51 168.89 24.07 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.23 0.538 . . . . 25.0 111.777 -175.727 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.52 48.68 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.074 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -125.65 108.92 12.02 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.791 -2.3 . . . . 25.0 104.791 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.34 138.54 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -180.0 -151.98 10.45 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.92 67.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 117.56 0.68 . . . . 25.0 109.773 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.48 155.55 20.52 Favored Glycine 0 N--CA 1.449 -0.483 1 N-CA-C 101.827 -4.509 . . . . 25.0 101.827 173.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.88 132.1 71.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 CA-C-N 119.111 1.456 . . . . 50.0 108.985 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -123.53 129.45 51.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.234 0.54 . . . . 25.0 110.123 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.33 132.95 42.57 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.551 -2.389 . . . . 25.0 104.551 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.8 m-85 -123.19 119.63 30.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.005 -1.479 . . . . 25.0 107.005 177.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -122.84 133.58 54.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -121.49 132.79 54.92 Favored 'General case' 0 CA--C 1.482 -1.635 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 HG22 ' A' ' 49' ' ' VAL 0.296 0.9 OUTLIER -144.66 139.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 121.413 3.857 . . . . 50.0 121.413 -165.809 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -90.19 137.51 32.29 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 113.08 -1.873 . . . . 25.0 108.535 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.1 mp -116.44 149.0 40.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.4 1.095 . . . . 25.0 113.699 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.25 172.15 42.75 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 103.834 -3.706 . . . . 25.0 103.834 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -121.02 140.43 51.93 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.6 p -101.78 146.79 27.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.702 0.763 . . . . 25.0 112.511 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.7 p -87.97 1.03 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.77 138.12 38.24 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.554 -1.203 . . . . 25.0 108.387 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 p -137.21 173.28 11.85 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.32 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -60.86 -23.63 65.3 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.148 1.536 . . . . 25.0 115.148 176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.267 0.7 OUTLIER -104.55 -14.79 15.54 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 118.451 2.76 . . . . 25.0 118.451 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -55.07 149.77 23.13 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-N 112.808 -1.997 . . . . 25.0 111.476 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.86 -19.48 20.81 Favored 'Trans proline' 0 C--O 1.219 -0.463 0 N-CA-C 118.325 2.394 . . . . 25.0 118.325 -172.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.75 77.57 1.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.513 0.597 . . . . 25.0 112.417 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.72 -13.76 62.38 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.64 -42.33 11.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.491 1.138 . . . . 25.0 111.164 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -83.19 -34.98 25.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.847 -1.07 . . . . 25.0 113.607 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.34 -57.97 21.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 120.163 -0.615 . . . . 25.0 111.038 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.76 -22.78 42.78 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 116.578 -1.814 . . . . 25.0 113.573 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.78 -44.54 96.68 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -84.65 -29.65 25.52 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -47.27 84.49 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.712 -0.618 . . . . 25.0 110.627 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.99 -58.27 9.99 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.34 -26.22 48.61 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.978 -2.881 . . . . 25.0 115.309 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.55 107.34 0.66 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.947 0.88 . . . . 25.0 112.893 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 174.46 7.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 103.047 -2.945 . . . . 25.0 103.047 169.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 56.09 51.99 11.08 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.151 0.977 . . . . 25.0 111.133 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -75.42 110.26 9.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 153.07 22.26 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -123.98 124.17 42.0 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.666 1.222 . . . . 25.0 108.307 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 68' ' ' LEU . 79.4 m -114.52 160.03 19.7 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.459 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.9 m -128.54 129.92 46.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -123.72 132.08 53.74 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.29 -0.868 . . . . 25.0 108.843 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -126.01 118.14 24.72 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.32 119.71 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -90.43 125.35 35.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.34 134.03 47.42 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.74 103.24 27.16 Favored Pre-proline 0 N--CA 1.434 -1.27 1 N-CA-C 96.684 -5.302 . . . . 50.0 96.684 -171.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -75.55 -19.15 17.0 Favored 'Trans proline' 0 N--CA 1.451 -0.998 1 C-N-CA 106.656 -8.43 . . . . 25.0 115.183 -168.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -61.78 -29.23 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -109.8 -3.46 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.399 0.142 . . . . 25.0 111.265 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.98 17.4 78.56 Favored Glycine 0 C--O 1.228 -0.228 0 CA-C-O 121.992 0.773 . . . . 25.0 111.423 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -103.05 167.32 9.9 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 123.573 0.749 . . . . 25.0 109.058 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 25.5 ptp -148.29 157.09 43.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 170.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -144.47 141.95 29.94 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.359 0.664 . . . . 25.0 109.894 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.63 115.25 5.61 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.809 -0.812 . . . . 25.0 108.809 175.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -91.5 -26.4 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.673 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -150.97 141.19 22.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.78 114.92 8.33 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 102.977 -2.971 . . . . 25.0 102.977 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -137.58 154.05 49.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.32 175.0 10.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -127.51 151.95 48.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 25.0 111.942 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -86.41 151.43 23.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 172.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.338 -1.315 . . . . 25.0 108.524 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.731 0 N-CA-C 103.616 -3.793 . . . . 25.0 103.616 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.51 139.63 23.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 115.556 -2.496 . . . . 25.0 112.513 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -149.0 148.73 30.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.392 . . . . 25.0 109.944 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 173.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.55 156.96 33.12 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -71.56 156.8 39.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.717 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.75 -19.43 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.272 0.558 . . . . 50.0 110.742 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.44 -28.03 60.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.186 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -54.39 136.86 43.32 Favored 'General case' 0 CA--C 1.439 -3.324 0 N-CA-C 120.183 3.401 . . . . 25.0 120.183 178.408 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -67.26 -27.48 67.24 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 113.341 -1.754 . . . . 25.0 112.05 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.51 -23.53 77.52 Favored Glycine 0 C--O 1.225 -0.42 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.491 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -88.47 -46.66 15.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-N 117.707 0.754 . . . . 50.0 110.637 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -51.26 -44.75 61.85 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -27.03 69.0 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 113.591 0.96 . . . . 25.0 113.591 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -33.82 21.69 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.49 -63.02 1.3 Allowed 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.37 -33.49 71.5 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.022 0.826 . . . . 25.0 110.538 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.28 -47.23 77.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.1 74.84 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.285 1.2 t -71.87 -40.44 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.09 -37.0 94.21 Favored Glycine 0 N--CA 1.435 -1.375 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 -175.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.6 tt0 -85.51 -28.07 25.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.138 0.97 . . . . 25.0 111.813 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -87.06 -62.65 1.45 Allowed 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.307 1.966 . . . . 25.0 116.307 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.31 -53.0 5.78 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.627 -2.079 . . . . 25.0 111.94 -172.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -69.87 -30.86 68.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.039 -178.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.68 -32.16 65.59 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 t -73.92 153.06 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.57 -0.741 . . . . 25.0 109.86 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -87.07 53.05 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.525 0.679 . . . . 25.0 110.131 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -67.01 128.9 38.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.4 mtm -75.61 -14.76 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.012 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -114.03 164.94 13.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.02 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -85.65 112.65 21.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -125.61 144.55 50.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.95 163.55 38.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.4 105.16 2.08 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 101.716 -3.438 . . . . 25.0 101.716 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.71 -49.9 64.54 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.879 0.847 . . . . 25.0 109.137 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.44 130.21 9.23 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.784 -1.553 . . . . 25.0 109.397 -170.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -76.87 132.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.91 -48.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -144.8 145.48 31.66 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.46 114.85 9.82 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -149.34 163.74 36.86 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-O 121.54 0.686 . . . . 25.0 111.747 -173.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 153.86 35.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.37 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 136.09 39.19 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 103.937 -2.616 . . . . 25.0 103.937 175.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 mm -124.43 132.29 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.08 -153.64 24.62 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 109.979 -1.248 . . . . 25.0 109.979 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -21.4 64.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.234 0.54 . . . . 25.0 110.9 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.67 135.37 8.35 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 104.295 -3.522 . . . . 25.0 104.295 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.72 131.06 66.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 105.137 -2.172 . . . . 50.0 105.137 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -137.31 117.88 13.89 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.868 -0.52 . . . . 25.0 110.02 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -91.64 134.86 34.33 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.0 m-85 -123.19 118.88 28.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.97 117.54 23.48 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -111.64 132.15 54.78 Favored 'General case' 0 CA--C 1.489 -1.399 0 CA-C-O 123.743 1.735 . . . . 25.0 109.052 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.586 HG23 HG22 ' A' ' 49' ' ' VAL 0.253 0.9 OUTLIER -144.56 141.16 23.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 120.349 3.463 . . . . 50.0 120.349 -166.654 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -92.98 135.21 34.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.23 -1.805 . . . . 25.0 107.134 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.0 mp -113.73 154.22 27.69 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.958 0.885 . . . . 25.0 111.161 175.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.42 147.11 10.34 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 105.459 -3.056 . . . . 25.0 105.459 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -77.91 136.06 37.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.355 -1.72 . . . . 25.0 106.355 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -92.76 144.84 24.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.971 0.415 . . . . 25.0 111.129 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -75.05 -19.47 60.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 25.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.7 m -105.2 165.84 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.559 . . . . 25.0 112.389 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 165.52 13.98 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 123.266 1.508 . . . . 25.0 113.151 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.64 -19.4 63.75 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 111.949 -2.387 . . . . 25.0 115.433 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.273 0.8 OUTLIER -108.67 -15.08 14.49 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 117.825 2.528 . . . . 25.0 117.825 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -60.46 153.37 60.65 Favored Pre-proline 0 C--N 1.3 -1.562 0 CA-C-N 112.623 -2.081 . . . . 25.0 114.128 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.4 18.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.79 2.327 . . . . 25.0 117.453 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -140.55 40.55 1.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.003 1.112 . . . . 25.0 114.003 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -12.43 38.84 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.389 1.996 . . . . 25.0 116.389 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -90.73 -42.06 10.92 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.701 -0.799 . . . . 25.0 110.557 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -81.59 -37.19 28.04 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.03 -54.87 46.26 Favored Pre-proline 0 C--O 1.216 -0.698 0 C-N-CA 119.659 -0.816 . . . . 25.0 110.481 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 48.7 Cg_endo -64.72 -24.61 61.94 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 114.614 -3.124 . . . . 25.0 114.152 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -38.17 89.87 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 174.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -81.45 -19.65 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.301 0.572 . . . . 25.0 112.205 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 73.4 m-20 -77.15 -31.45 55.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -55.1 -54.64 48.04 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.43 -23.36 44.08 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 113.391 -3.94 . . . . 25.0 114.557 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -76.69 -11.52 59.86 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 98.48 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -76.75 -12.4 59.98 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.136 0.493 . . . . 25.0 110.204 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -130.71 132.01 45.11 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.643 -3.095 . . . . 25.0 102.643 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -96.57 141.79 29.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.13 130.36 52.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.17 139.98 53.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.279 1.038 . . . . 25.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' ' 68' ' ' LEU . 78.6 m -125.36 157.41 36.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.962 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.3 m -129.84 121.32 26.51 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -114.41 134.37 55.04 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -130.5 123.01 28.69 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.9 mt -117.62 118.07 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -90.39 125.99 35.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.244 -1.762 . . . . 25.0 106.244 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.15 136.04 44.51 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.46 103.31 34.92 Favored Pre-proline 0 N--CA 1.433 -1.288 1 N-CA-C 96.556 -5.35 . . . . 50.0 96.556 -170.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.06 -21.66 15.51 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 106.694 -8.404 . . . . 25.0 114.757 -169.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -61.73 -18.38 59.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -123.58 1.19 8.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.645 0.26 . . . . 25.0 110.703 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.41 14.96 69.89 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-O 122.055 0.808 . . . . 25.0 112.188 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -101.57 167.46 10.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.43 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.7 ptt? -148.32 157.56 43.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.0 m -140.38 138.94 35.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.045 0.538 . . . . 25.0 109.946 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 115' ' ' SER . 33.4 tp -65.45 111.83 3.27 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -84.15 -27.88 27.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.346 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -155.33 144.84 21.18 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.9 p -144.38 114.42 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.194 -2.15 . . . . 25.0 105.194 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -131.21 148.92 52.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -151.09 170.45 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.774 1.027 . . . . 25.0 113.774 -173.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -122.31 160.26 25.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.51 -1.223 . . . . 25.0 107.878 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.67 112.63 2.33 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.673 1.361 . . . . 25.0 114.673 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.66 -0.686 . . . . 25.0 111.318 177.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 104.627 -3.389 . . . . 25.0 104.627 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.6 138.29 26.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 115.596 -2.47 . . . . 25.0 112.928 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -148.78 150.71 33.56 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 147.08 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 159.41 29.34 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -70.98 156.49 39.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.6 m -64.72 -17.74 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.517 0.675 . . . . 50.0 111.732 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.65 -16.05 40.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.344 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.259 0.6 OUTLIER -57.99 146.39 32.73 Favored 'General case' 0 CA--C 1.455 -2.691 0 N-CA-C 120.985 3.698 . . . . 25.0 120.985 175.036 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -55.5 -42.68 74.78 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 112.52 -2.127 . . . . 25.0 111.693 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.65 -21.32 78.84 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 114.815 -1.084 . . . . 25.0 113.246 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 18' ' ' VAL . 98.7 t -88.54 -48.57 14.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 118.353 1.077 . . . . 50.0 110.541 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -52.63 -42.41 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.78 -25.24 67.16 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -34.44 22.09 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 107.429 -1.322 . . . . 25.0 107.429 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.4 mt -59.44 -63.0 1.46 Allowed 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -71.01 -24.53 62.39 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -70.99 -43.91 67.02 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.356 -0.538 . . . . 25.0 109.6 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.83 89.47 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 27' ' ' LEU . 1.2 t -82.74 -22.68 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.252 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -59.85 -37.48 92.59 Favored Glycine 0 C--O 1.198 -2.095 0 N-CA-C 103.71 -3.756 . . . . 25.0 103.71 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -85.41 -28.09 25.35 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 123.335 1.54 . . . . 25.0 113.413 -176.409 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -85.64 -62.83 1.44 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 123.402 1.572 . . . . 25.0 114.239 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.499 ' HB2' HG12 ' A' ' 31' ' ' VAL . 5.2 m-20 -83.76 -51.93 6.82 Favored 'General case' 0 CA--C 1.476 -1.883 1 N-CA-C 122.75 4.352 . . . . 25.0 122.75 174.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -64.44 -26.07 68.29 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -83.14 -32.17 26.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.8 m -96.13 159.5 14.93 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.277 1.584 . . . . 25.0 115.277 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -97.98 52.53 1.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.14 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -68.43 128.11 35.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.58 -12.77 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.053 -0.522 . . . . 25.0 111.053 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -123.87 164.22 19.68 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -88.59 112.41 23.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.121 -1.432 . . . . 25.0 108.673 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.44 128.59 41.61 Favored 'General case' 0 C--O 1.18 -2.557 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 165.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -155.49 171.22 20.29 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -164.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -56.41 102.21 0.07 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 170.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.98 -48.36 30.93 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-O 122.041 0.924 . . . . 25.0 110.322 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -149.62 131.1 14.79 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.665 -1.607 . . . . 25.0 108.58 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.76 130.28 36.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -87.74 -45.4 16.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -143.98 146.07 32.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.9 103.21 4.15 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -139.59 168.05 20.7 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-O 121.96 0.886 . . . . 25.0 113.028 -175.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 143.81 30.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.683 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -98.95 134.78 41.32 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.06 134.04 66.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.93 -148.52 8.32 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 106.226 -2.75 . . . . 25.0 106.226 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.16 68.18 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 117.906 0.853 . . . . 25.0 110.12 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.72 163.18 20.72 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 104.798 -3.321 . . . . 25.0 104.798 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.9 t -122.97 128.24 75.08 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 N-CA-C 106.176 -1.787 . . . . 50.0 106.176 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 123.82 31.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.921 -0.487 . . . . 25.0 110.443 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.69 134.77 34.42 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.164 -1.421 . . . . 25.0 107.164 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 97.5 m-85 -123.27 113.5 18.97 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.01 116.73 25.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -109.08 134.39 51.75 Favored 'General case' 0 CA--C 1.49 -1.355 0 CA-C-O 123.497 1.617 . . . . 25.0 108.732 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL 0.268 0.9 OUTLIER -145.83 140.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 121.324 3.824 . . . . 50.0 121.324 -165.638 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.01 134.92 34.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.191 -1.822 . . . . 25.0 108.629 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.88 155.6 26.52 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 122.486 1.136 . . . . 25.0 110.761 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.24 163.79 35.44 Favored Glycine 0 N--CA 1.434 -1.478 0 N-CA-C 105.808 -2.917 . . . . 25.0 105.808 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -91.64 129.81 37.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 p -108.9 146.24 34.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.52 0.676 . . . . 25.0 111.845 -174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -76.88 -20.99 55.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.989 -1.005 . . . . 25.0 112.727 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.4 m -126.72 160.05 31.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 6.5 p -95.46 172.56 8.0 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.003 -1.453 . . . . 25.0 110.214 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -64.91 -14.59 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.2 -14.46 14.18 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 118.583 2.809 . . . . 25.0 118.583 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.9 mm100 -50.9 153.46 2.99 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 112.361 -2.2 . . . . 25.0 112.982 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.04 -7.34 20.59 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 N-CA-C 118.05 2.289 . . . . 25.0 118.05 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.48 57.28 1.81 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.36 -10.64 17.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -42.36 16.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.739 1.257 . . . . 25.0 108.757 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -84.41 -37.48 21.42 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 114.452 -1.249 . . . . 25.0 114.242 -172.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.04 -55.37 46.15 Favored Pre-proline 0 C--O 1.216 -0.706 0 C-N-CA 119.695 -0.802 . . . . 25.0 111.44 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.3 Cg_endo -70.14 -26.23 25.99 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 114.404 -3.264 . . . . 25.0 114.064 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.1 -33.17 72.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 118.431 0.56 . . . . 25.0 110.521 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -83.54 -41.72 17.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.582 0.706 . . . . 25.0 111.65 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.1 m-20 -67.46 -42.76 82.49 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -172.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -59.95 -51.07 83.21 Favored Pre-proline 0 N--CA 1.467 0.409 0 C-N-CA 118.657 -1.217 . . . . 25.0 113.778 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.72 -20.44 35.0 Favored 'Trans proline' 0 CA--C 1.539 0.75 1 C-N-CA 112.9 -4.267 . . . . 25.0 114.126 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -66.14 -37.03 84.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 86.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 25.0 110.838 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 174.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -91.31 80.03 5.59 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.22 112.45 8.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.56 140.83 33.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -123.94 137.55 54.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.893 0.854 . . . . 25.0 109.157 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.9 m -129.19 156.6 43.68 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.417 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.4 m -129.85 130.04 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.03 130.06 55.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -127.65 113.26 15.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.4 mt -107.84 122.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.1 124.0 35.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.5 135.8 41.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 104.651 -2.352 . . . . 25.0 104.651 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -99.51 103.15 19.3 Favored Pre-proline 0 N--CA 1.436 -1.153 1 N-CA-C 96.044 -5.539 . . . . 50.0 96.044 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.36 -21.62 15.02 Favored 'Trans proline' 0 N--CA 1.451 -0.983 1 C-N-CA 106.832 -8.312 . . . . 25.0 115.004 -167.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -60.22 -29.25 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.32 -0.855 . . . . 25.0 113.296 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -109.53 -4.32 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.492 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.54 77.1 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-O 121.71 0.617 . . . . 25.0 111.711 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -103.3 167.18 9.98 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.432 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.5 ptt? -148.08 157.61 43.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 170.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -139.89 138.89 36.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.259 0.623 . . . . 25.0 109.468 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.58 115.53 5.88 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.9 t -83.35 -35.2 25.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.449 0.642 . . . . 25.0 109.829 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -150.67 141.04 22.37 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.922 -0.581 . . . . 25.0 112.293 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 128.14 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 171.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -140.02 147.19 40.04 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -129.46 156.23 44.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -85.31 147.2 26.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.587 0 N-CA-C 108.672 -1.771 . . . . 25.0 108.672 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 92.0 Cg_endo -72.91 146.91 42.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 CA-C-N 119.217 1.508 . . . . 25.0 113.02 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.02 149.05 30.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.31 150.52 24.28 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 103.832 -2.655 . . . . 25.0 103.832 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.65 150.44 48.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -69.69 155.84 39.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' HG11 ' A' ' 23' ' ' VAL . 10.4 m -65.72 -21.52 29.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.77 -30.21 69.6 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.97 -1.013 . . . . 25.0 111.991 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 0.5 OUTLIER -49.97 135.45 20.14 Favored 'General case' 0 CA--C 1.447 -2.996 1 N-CA-C 122.312 4.19 . . . . 25.0 122.312 176.108 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.27 -31.39 72.53 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 112.967 -1.924 . . . . 25.0 111.877 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -23.35 78.19 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.343 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.3 t -88.28 -54.02 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.577 0.688 . . . . 50.0 111.408 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -52.02 -42.24 62.88 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.225 0.466 . . . . 25.0 112.254 -175.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -30.09 71.22 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.784 -0.767 . . . . 25.0 113.067 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.29 -34.63 21.86 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.64 -61.13 2.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.65 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.84 0.713 . . . . 25.0 109.528 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.77 -49.53 70.38 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.18 84.45 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 31' ' ' VAL 0.282 1.1 t -74.8 -38.43 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 N-CA-C 105.37 -2.085 . . . . 50.0 105.37 -174.068 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.73 92.43 Favored Glycine 0 C--O 1.207 -1.56 0 N-CA-C 108.114 -1.994 . . . . 25.0 108.114 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.2 tt0 -85.48 -29.08 24.57 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.919 0.866 . . . . 25.0 112.015 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -87.24 -62.9 1.4 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 123.848 1.785 . . . . 25.0 115.304 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -84.55 -51.38 6.92 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 111.764 -2.471 . . . . 25.0 112.248 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -72.21 -30.16 64.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.788 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.59 -31.86 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -80.3 157.09 26.5 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.063 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -98.64 53.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.27 0.557 . . . . 25.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.06 132.17 51.03 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.367 0.604 . . . . 25.0 109.565 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.2 ptm -63.82 -20.12 65.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.486 ' HB2' ' HD3' ' A' ' 70' ' ' ARG . 37.3 m-85 -131.39 164.91 24.65 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 104.635 -2.357 . . . . 25.0 104.635 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 74' ' ' THR . 73.0 m-70 -79.75 112.43 17.03 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 111.901 -176.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -101.51 143.22 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -156.33 163.58 39.33 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.71 102.58 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 101.79 -3.411 . . . . 25.0 101.79 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.78 -48.2 55.5 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-O 121.87 0.843 . . . . 25.0 110.571 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.18 130.85 14.03 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 113.78 -1.555 . . . . 25.0 109.172 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.5 125.72 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 177.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -83.7 -43.25 17.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -143.61 138.31 28.94 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -136.76 105.61 5.9 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 161.15 38.67 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 121.531 0.681 . . . . 25.0 110.996 -173.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.33 156.31 40.5 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.796 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.8 tt0 -98.78 135.72 39.84 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 177.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.9 mm -120.49 130.79 74.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.79 -153.11 24.25 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 109.866 -1.294 . . . . 25.0 109.866 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.91 -14.67 55.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.21 0.529 . . . . 25.0 111.54 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.02 138.42 9.77 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 103.896 -3.682 . . . . 25.0 103.896 174.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.99 128.55 73.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -137.25 116.76 12.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.864 -0.522 . . . . 25.0 110.078 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -93.52 134.46 35.76 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 122.56 0.344 . . . . 25.0 110.096 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -123.34 117.44 25.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.1 117.73 29.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.117 -1.809 . . . . 25.0 106.117 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -113.88 128.65 56.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 123.794 1.759 . . . . 25.0 107.147 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -140.86 141.23 32.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 120.27 3.433 . . . . 50.0 120.27 -165.022 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -98.7 132.94 43.7 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 112.728 -2.033 . . . . 25.0 107.973 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -108.59 151.91 25.48 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 122.343 1.068 . . . . 25.0 113.131 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.2 152.71 24.75 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 103.275 -3.93 . . . . 25.0 103.275 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.486 ' HD3' ' HB2' ' A' ' 42' ' ' TYR . 44.0 mtt85 -105.88 113.08 26.41 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -88.5 146.11 25.37 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.9 p -80.96 -5.11 57.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.018 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.6 p -99.91 161.47 13.59 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -135.3 175.48 9.54 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.197 -0.91 . . . . 25.0 113.255 -174.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -57.84 -26.1 61.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.299 0.8 OUTLIER -107.77 -14.82 14.71 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 116.054 1.872 . . . . 25.0 116.054 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.577 ' HB2' ' H ' ' A' ' 74' ' ' THR . 74.5 mm-40 -79.46 153.12 76.24 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 111.839 -2.437 . . . . 25.0 109.418 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -79.56 178.45 7.34 Favored 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 122.641 2.228 . . . . 25.0 115.295 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 59.49 45.48 13.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.987 1.847 . . . . 25.0 115.987 173.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.66 -10.33 35.18 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.421 1.637 . . . . 25.0 115.421 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -41.94 12.77 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.217 1.008 . . . . 25.0 108.934 176.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -83.91 -34.29 24.55 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.15 -57.26 28.41 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.535 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.11 -24.52 27.97 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 115.709 -2.394 . . . . 25.0 113.583 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -65.99 -29.56 69.96 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 118.205 0.457 . . . . 25.0 110.816 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -84.77 -32.55 23.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 25.0 111.326 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -46.37 88.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 122.465 0.306 . . . . 25.0 111.269 -175.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.56 -57.67 17.77 Favored Pre-proline 0 N--CA 1.468 0.452 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.95 -19.63 39.82 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 114.447 -3.235 . . . . 25.0 114.501 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.95 -20.29 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.73 -0.606 . . . . 25.0 111.054 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.17 91.41 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -32.44 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.148 -2.168 . . . . 25.0 105.148 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -76.61 133.45 39.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.185 -2.524 . . . . 25.0 104.185 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -123.61 109.78 14.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.328 0.513 . . . . 25.0 109.847 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.22 126.75 55.56 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -123.12 138.43 54.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.387 1.089 . . . . 25.0 111.098 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.415 ' SG ' HD13 ' A' ' 68' ' ' LEU . 82.1 m -124.57 155.86 38.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.273 -1.33 . . . . 25.0 111.314 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 t -129.78 120.98 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -115.66 128.86 56.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -127.14 124.86 40.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.8 mt -117.2 118.51 58.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -90.24 127.29 36.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -106.25 134.3 49.59 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.401 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -102.67 103.36 31.99 Favored Pre-proline 0 N--CA 1.433 -1.279 1 N-CA-C 96.965 -5.198 . . . . 50.0 96.965 -169.751 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.24 -22.44 14.4 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.422 -8.585 . . . . 25.0 114.617 -168.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -62.81 -16.65 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.46 0.08 8.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.691 0.282 . . . . 25.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.06 16.41 70.69 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-O 122.073 0.818 . . . . 25.0 112.24 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -106.08 167.19 9.97 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 123.753 0.821 . . . . 25.0 109.428 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.6 ptt? -148.29 157.48 43.51 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 169.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.0 m -141.05 140.34 34.23 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.145 0.578 . . . . 25.0 109.898 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 115' ' ' SER . 32.2 tp -65.49 111.75 3.25 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.5 t -84.92 -31.87 23.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.52 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.5 145.73 28.04 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 112' ' ' LEU . 38.9 t -148.17 116.42 6.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.82 -2.289 . . . . 25.0 104.82 172.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.99 151.15 47.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.225 -1.769 . . . . 25.0 106.225 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.86 17.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -125.13 136.63 53.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -86.29 151.84 23.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.791 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 173.378 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.406 0 CA-C-O 120.247 -0.196 . . . . 25.0 113.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.23 152.73 75.72 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.631 1.215 . . . . 25.0 114.666 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 ptm -135.89 142.54 44.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.23 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.39 140.1 31.79 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.72 165.69 11.83 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.9 p -83.19 154.13 24.4 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 3.3 m -69.37 -20.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 119.233 0.924 . . . . 50.0 108.884 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.03 -20.83 59.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 25.0 111.728 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.23 140.57 21.09 Favored 'General case' 0 CA--C 1.446 -3.054 0 N-CA-C 121.006 3.706 . . . . 25.0 121.006 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -58.42 -39.97 81.21 Favored 'General case' 0 N--CA 1.413 -2.293 0 CA-C-N 112.708 -2.042 . . . . 25.0 110.353 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.83 -23.44 78.0 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 114.853 -1.067 . . . . 25.0 112.348 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 18' ' ' VAL . 68.8 t -87.7 -52.57 11.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 CA-C-N 117.986 0.893 . . . . 50.0 111.201 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -51.18 -45.35 61.77 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 119.054 0.843 . . . . 25.0 112.809 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -28.1 69.36 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.44 -35.03 21.51 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' HG12 ' A' ' 23' ' ' VAL . 15.5 mt -64.23 -57.58 9.06 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.83 -33.35 75.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.77 -48.68 75.97 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.41 76.3 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.281 1.1 t -72.09 -40.54 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 105.531 -2.025 . . . . 50.0 105.531 -173.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.9 -37.11 94.37 Favored Glycine 0 C--O 1.211 -1.322 0 N-CA-C 108.832 -1.707 . . . . 25.0 108.832 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.4 tt0 -85.32 -28.3 25.34 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 122.161 0.981 . . . . 25.0 112.104 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.83 -62.92 1.4 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.551 1.685 . . . . 25.0 115.551 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.89 -52.76 6.09 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.1 -2.318 . . . . 25.0 112.404 -171.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 5.4 tmtt? -70.53 -29.86 66.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.702 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -73.41 -32.0 64.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 t -77.63 155.1 31.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.256 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -91.99 54.87 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.467 0.651 . . . . 25.0 110.152 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.65 130.17 42.6 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.1 mtt -69.17 -18.77 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.639 -0.709 . . . . 25.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.87 163.05 17.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -88.18 112.67 23.0 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 m -119.28 144.8 46.59 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.78 166.84 30.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.29 102.33 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.63 -47.21 33.38 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.107 0.956 . . . . 25.0 111.556 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -144.54 121.86 11.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.999 -1.455 . . . . 25.0 109.252 -170.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.4 129.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.396 -1.335 . . . . 50.0 107.396 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.2 t -88.05 -43.78 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -145.54 144.0 30.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.297 -0.41 . . . . 25.0 110.807 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 114.72 7.21 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.35 165.32 32.36 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.701 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.74 139.29 53.25 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -99.51 129.71 45.7 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.818 -2.29 . . . . 25.0 104.818 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.8 mm -107.46 142.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.99 -158.54 31.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 106.815 -2.514 . . . . 25.0 106.815 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.52 66.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.721 0.761 . . . . 25.0 109.393 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.53 158.34 19.03 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 104.746 -3.342 . . . . 25.0 104.746 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.56 136.13 60.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 107.378 -1.341 . . . . 50.0 107.378 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -131.84 126.4 34.18 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.797 -0.565 . . . . 25.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.76 111.21 22.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -98.78 114.3 26.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.28 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.75 136.8 53.57 Favored 'General case' 0 CA--C 1.479 -1.766 0 CA-C-O 123.285 1.517 . . . . 25.0 107.504 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 141.97 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 120.403 3.483 . . . . 50.0 120.403 -166.375 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.52 130.1 37.4 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.055 -1.884 . . . . 25.0 108.777 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.85 150.38 25.64 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 122.309 1.052 . . . . 25.0 111.835 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.75 164.11 36.73 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 104.673 -3.371 . . . . 25.0 104.673 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -101.7 136.41 41.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 104.668 -2.345 . . . . 25.0 104.668 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -107.3 152.55 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.337 1.236 . . . . 25.0 114.337 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.8 p -83.56 4.13 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.992 -1.004 . . . . 25.0 113.356 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.2 p -129.06 164.82 22.43 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.364 1.078 . . . . 25.0 113.383 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 p -114.69 174.24 6.07 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-N 114.337 -1.301 . . . . 25.0 109.191 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -58.98 -22.29 60.14 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 115.689 1.737 . . . . 25.0 115.689 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.306 0.8 OUTLIER -107.28 -14.6 14.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 119.884 3.29 . . . . 25.0 119.884 -179.188 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -55.54 145.66 48.33 Favored Pre-proline 0 C--N 1.298 -1.631 0 CA-C-N 111.462 -2.608 . . . . 25.0 111.493 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -83.38 10.06 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.766 2.311 . . . . 25.0 116.233 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -124.06 31.37 5.83 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 -173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -10.46 7.5 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 118.704 2.853 . . . . 25.0 118.704 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -87.81 -41.92 12.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.81 1.186 . . . . 25.0 109.418 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -77.71 -36.61 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.022 -0.99 . . . . 25.0 112.41 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.09 -64.53 2.23 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 119.177 -0.439 . . . . 25.0 111.646 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.0 Cg_endo -69.1 -26.78 30.34 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 114.54 -3.173 . . . . 25.0 113.738 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.73 -40.61 84.27 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 118.21 0.459 . . . . 25.0 111.193 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -84.81 -31.96 23.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.4 m-20 -68.82 -43.17 76.08 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.43 -52.83 70.14 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.84 -15.4 29.78 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 114.849 -2.968 . . . . 25.0 114.545 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -76.94 -15.32 59.7 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.84 -0.538 . . . . 25.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.32 90.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 25.0 112.013 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -74.35 -32.06 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -96.97 128.53 44.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 103.217 -2.883 . . . . 25.0 103.217 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -110.72 110.11 20.63 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.61 137.88 31.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.14 138.61 54.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -129.17 154.92 46.28 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.15 -0.932 . . . . 25.0 110.565 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.415 ' HB3' HE22 ' A' ' 100' ' ' GLN . 14.6 m -129.94 130.41 45.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -125.79 128.04 47.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.415 HE22 ' HB3' ' A' ' 98' ' ' SER . 20.2 mp0 -123.39 111.28 16.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.875 -0.602 . . . . 25.0 109.528 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.79 118.31 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -90.52 123.88 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.95 135.53 42.25 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.259 -2.497 . . . . 25.0 104.259 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.88 103.57 25.77 Favored Pre-proline 0 N--CA 1.433 -1.301 1 N-CA-C 96.2 -5.482 . . . . 50.0 96.2 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.72 -22.36 13.66 Favored 'Trans proline' 0 N--CA 1.452 -0.92 1 C-N-CA 106.509 -8.528 . . . . 25.0 114.964 -167.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -59.19 -32.64 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 25.0 112.66 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -106.03 -2.39 22.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.63 17.37 74.79 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-O 121.985 0.769 . . . . 25.0 111.835 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -104.62 167.19 9.89 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.937 0.895 . . . . 25.0 108.976 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.427 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 10.1 ptm -148.15 157.45 43.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -146.1 141.32 27.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.129 0.572 . . . . 25.0 110.25 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.0 115.75 6.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -89.4 -32.9 17.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.877 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -150.43 140.48 22.04 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.328 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 p -141.83 122.98 14.68 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.815 -2.291 . . . . 25.0 104.815 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -137.34 152.1 49.34 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.86 170.74 17.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.846 0.355 . . . . 25.0 111.701 -176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.57 155.04 34.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -68.15 143.22 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.998 -1.001 . . . . 25.0 109.318 -179.667 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.429 0 CA-C-O 119.071 -0.85 . . . . 25.0 114.537 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 96.2 Cg_endo -71.34 141.32 38.74 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-N 119.731 1.766 . . . . 25.0 115.644 -176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -137.79 147.57 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.32 143.25 26.56 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.09 162.16 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.1 0.476 . . . . 25.0 110.151 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -77.76 159.25 29.18 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.7 m -65.31 -19.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.659 0.266 . . . . 50.0 111.219 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -86.4 -7.24 58.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.767 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.306 1.1 mp0 -63.69 141.04 58.91 Favored 'General case' 0 CA--C 1.449 -2.934 0 N-CA-C 117.889 2.551 . . . . 25.0 117.889 170.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.3 -46.59 66.01 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-N 111.365 -2.652 . . . . 25.0 112.506 -174.412 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.14 77.75 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.445 -0.798 . . . . 25.0 112.418 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 18' ' ' VAL . 96.9 t -82.13 -53.19 12.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 118.155 0.977 . . . . 50.0 108.68 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -49.45 -48.27 47.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -30.06 70.7 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.68 -27.98 24.99 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.6 -59.57 4.13 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -65.66 -35.83 81.91 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.44 -48.65 80.2 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.38 79.28 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.0 OUTLIER -71.85 -40.88 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -173.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.43 -36.69 93.72 Favored Glycine 0 N--CA 1.436 -1.336 0 N-CA-C 108.758 -1.737 . . . . 25.0 108.758 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.3 tt0 -85.61 -28.0 25.09 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.163 0.982 . . . . 25.0 111.895 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -87.06 -63.08 1.36 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.629 1.715 . . . . 25.0 115.629 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -84.17 -53.4 5.54 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 112.255 -2.248 . . . . 25.0 111.626 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.66 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.078 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.69 -32.21 65.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -75.62 153.67 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.172 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.05 53.72 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.79 0.805 . . . . 25.0 108.909 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -66.04 131.28 45.83 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.81 -12.77 60.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.283 0.564 . . . . 25.0 110.71 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -121.01 165.96 14.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.55 112.4 22.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.057 -0.657 . . . . 25.0 109.998 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -110.97 139.37 46.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -144.34 166.11 26.01 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.84 102.08 4.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 101.146 -3.649 . . . . 25.0 101.146 170.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.46 -46.47 82.97 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.709 0.766 . . . . 25.0 110.438 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -157.53 130.5 7.6 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.882 -1.508 . . . . 25.0 108.858 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.35 131.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.6 t -92.9 -44.07 13.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.919 -1.037 . . . . 50.0 108.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -141.48 148.51 39.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 116.11 6.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.47 167.1 29.9 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 152.05 32.77 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.991 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.0 tt0 -98.67 129.59 45.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.76 129.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.92 -165.05 37.41 Favored Glycine 0 C--O 1.227 -0.338 0 N-CA-C 109.513 -1.435 . . . . 25.0 109.513 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.3 -20.25 65.96 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.199 0.524 . . . . 25.0 110.407 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.76 136.57 9.75 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 105.036 -3.225 . . . . 25.0 105.036 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.48 134.78 57.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.31 123.33 20.27 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.53 134.14 38.73 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.6 m-85 -123.22 114.4 20.21 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.39 132.35 54.33 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -119.76 133.68 55.52 Favored 'General case' 0 CA--C 1.474 -1.953 0 CA-C-O 123.517 1.627 . . . . 25.0 106.959 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -142.53 138.98 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 110.014 -3.267 . . . . 50.0 118.851 -168.862 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.7 137.16 32.57 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.887 -1.961 . . . . 25.0 108.048 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.512 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -113.72 155.69 25.14 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.208 1.004 . . . . 25.0 113.629 174.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.57 134.29 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 106.279 -2.728 . . . . 25.0 106.279 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -91.24 142.48 27.67 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 117.949 0.875 . . . . 25.0 111.366 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -115.98 153.4 31.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.127 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -93.01 0.07 57.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.09 155.8 17.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.722 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 9.1 p -141.43 178.7 7.25 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -175.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -59.55 -24.01 63.35 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 115.77 1.767 . . . . 25.0 115.77 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER -106.9 -14.46 14.96 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 117.2 2.296 . . . . 25.0 117.2 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.722 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.2 mm100 -64.08 153.53 84.91 Favored Pre-proline 0 C--N 1.298 -1.65 0 CA-C-N 112.101 -2.318 . . . . 25.0 111.251 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.72 163.56 36.95 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 121.32 1.347 . . . . 25.0 114.136 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 56.12 56.02 6.27 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 116.649 2.092 . . . . 25.0 116.649 173.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.35 -10.75 26.49 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -41.95 17.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.983 1.373 . . . . 25.0 109.308 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -84.26 -36.37 22.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 114.356 -1.293 . . . . 25.0 113.551 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -60.02 -56.69 33.05 Favored Pre-proline 0 C--O 1.218 -0.581 0 C-N-CA 119.464 -0.894 . . . . 25.0 111.521 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.24 -27.13 41.4 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 115.2 -2.733 . . . . 25.0 114.554 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -57.37 -40.05 77.33 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -84.76 -19.6 32.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.674 0.991 . . . . 25.0 113.674 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.81 -55.88 28.75 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 118.58 0.627 . . . . 25.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -51.09 -55.91 24.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.26 -21.03 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 114.068 -3.488 . . . . 25.0 114.898 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -70.05 -39.23 75.84 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.537 -0.727 . . . . 25.0 109.989 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.85 83.12 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.347 1.07 . . . . 25.0 113.656 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -81.76 -12.45 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 168.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -82.95 73.3 10.0 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.859 -1.534 . . . . 25.0 106.859 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -76.82 109.93 11.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.49 143.39 49.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -124.35 145.94 49.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.25 1.024 . . . . 25.0 112.282 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD13 ' A' ' 68' ' ' LEU . 72.0 m -127.58 154.86 44.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.093 -1.412 . . . . 25.0 109.576 174.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -129.9 131.01 45.89 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.51 127.48 49.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -122.31 115.48 22.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 108.709 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 33.9 mt -113.65 116.93 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -90.27 123.8 34.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.05 135.22 45.13 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 104.894 -2.262 . . . . 25.0 104.894 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.41 103.27 30.26 Favored Pre-proline 0 N--CA 1.433 -1.32 1 N-CA-C 95.589 -5.708 . . . . 50.0 95.589 -171.234 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.24 -23.53 13.33 Favored 'Trans proline' 0 N--CA 1.454 -0.829 1 C-N-CA 106.543 -8.505 . . . . 25.0 113.484 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.2 -19.93 63.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.671 -1.149 . . . . 25.0 112.954 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -119.16 1.1 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.718 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.94 27.93 72.84 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-O 122.4 1.0 . . . . 25.0 112.527 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.08 167.67 16.42 Favored 'General case' 0 CA--C 1.497 -1.076 0 C-N-CA 124.15 0.98 . . . . 25.0 108.82 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 23.0 ptt? -148.26 157.46 43.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.3 m -142.84 140.15 31.17 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.058 0.543 . . . . 25.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.0 113.39 4.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -84.01 -32.71 24.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.013 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -152.98 140.34 19.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.886 0.374 . . . . 25.0 111.112 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 127.19 27.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 103.073 -2.936 . . . . 25.0 103.073 171.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -138.85 148.17 43.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.98 170.79 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -136.5 143.02 43.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 175.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.37 149.82 24.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.196 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.38 126.57 13.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 114.595 -3.137 . . . . 25.0 111.695 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -148.95 149.71 31.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.464 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 133.57 39.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.792 -2.67 . . . . 25.0 103.792 167.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.22 165.38 11.42 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.023 -2.954 . . . . 25.0 103.023 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.68 155.39 26.81 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 104.684 -2.339 . . . . 25.0 104.684 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.1 m -67.17 -16.43 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.586 0.232 . . . . 50.0 111.14 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.8 -11.77 43.95 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.644 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.3 0.5 OUTLIER -52.41 140.27 22.64 Favored 'General case' 0 CA--C 1.441 -3.219 0 N-CA-C 119.706 3.225 . . . . 25.0 119.706 170.244 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.52 -41.07 80.14 Favored 'General case' 0 N--CA 1.411 -2.396 0 CA-C-N 112.517 -2.128 . . . . 25.0 110.153 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.41 -23.4 75.09 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 114.603 -1.181 . . . . 25.0 112.739 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 18' ' ' VAL . 94.4 t -88.7 -53.14 10.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 118.648 1.224 . . . . 50.0 111.223 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -50.7 -45.24 58.25 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 118.934 0.788 . . . . 25.0 112.82 -176.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.54 70.56 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.53 -29.29 24.32 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.714 -1.217 . . . . 25.0 107.714 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.51 -58.11 7.3 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 109.473 -0.565 . . . . 25.0 109.473 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.45 -32.99 73.39 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.13 -44.96 86.96 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.928 -0.768 . . . . 25.0 108.928 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.27 78.11 Favored 'General case' 0 C--O 1.208 -1.099 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.259 1.0 OUTLIER -77.24 -36.62 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.189 0 N-CA-C 105.327 -2.101 . . . . 50.0 105.327 -175.261 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.49 -35.12 91.62 Favored Glycine 0 C--O 1.199 -2.082 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 60.6 tt0 -85.46 -28.59 24.94 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 122.015 0.912 . . . . 25.0 111.849 -176.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.31 -63.11 1.35 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.84 1.793 . . . . 25.0 115.84 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -84.56 -53.62 5.28 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.222 -2.263 . . . . 25.0 111.654 -171.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.41 -31.37 70.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.824 -0.625 . . . . 25.0 110.135 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.07 -32.0 66.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.3 m -79.81 159.64 26.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.218 -0.901 . . . . 25.0 110.324 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.48 58.17 4.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.062 0.934 . . . . 25.0 109.679 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -65.5 128.95 37.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -77.38 -12.7 59.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.743 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -126.04 163.79 22.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.939 -0.764 . . . . 25.0 108.939 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.99 112.39 20.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 m -118.31 147.91 43.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HE ' HG21 ' A' ' 71' ' ' THR . 8.4 ttm-85 -149.5 158.19 43.95 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.717 -0.393 . . . . 25.0 111.983 -175.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.96 102.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 102.735 -3.061 . . . . 25.0 102.735 167.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.91 -45.2 75.06 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 121.935 0.874 . . . . 25.0 111.073 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.43 136.44 8.47 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.975 -1.466 . . . . 25.0 108.185 -171.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.32 131.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.994 0.902 . . . . 50.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -86.33 -45.71 16.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.19 -0.914 . . . . 50.0 108.629 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -143.75 139.91 29.67 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -140.37 119.32 12.64 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.176 -2.157 . . . . 25.0 105.176 175.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.42 168.12 26.51 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.799 -173.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.42 164.81 25.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.505 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.21 137.44 47.58 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 171.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -127.56 137.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.8 -156.36 28.04 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.136 -1.986 . . . . 25.0 108.136 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.01 66.98 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.44 0.62 . . . . 25.0 109.73 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.78 137.11 10.31 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 105.352 -3.099 . . . . 25.0 105.352 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.13 134.66 60.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 106.93 -1.508 . . . . 50.0 106.93 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.73 132.66 46.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.823 -0.548 . . . . 25.0 110.425 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -107.47 113.82 27.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 83.9 m-85 -102.64 117.06 33.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -119.62 110.74 17.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -104.87 130.14 53.07 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.135 -2.172 . . . . 25.0 105.135 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 49' ' ' VAL 0.347 0.9 OUTLIER -140.65 134.57 33.7 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.3 0 N-CA-C 121.757 3.984 . . . . 50.0 121.757 -165.469 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -90.21 137.37 32.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 112.961 -1.927 . . . . 25.0 106.95 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.2 mp -114.37 156.76 23.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.75 172.03 43.54 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 104.538 -3.425 . . . . 25.0 104.538 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -109.7 142.49 40.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 104.331 -2.47 . . . . 25.0 104.331 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.478 HG21 ' HE ' ' A' ' 45' ' ' ARG . 46.8 p -99.89 142.77 30.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.765 -0.374 . . . . 25.0 111.401 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -73.44 -25.22 60.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.14 169.51 10.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.808 0.813 . . . . 25.0 111.865 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.651 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -132.73 178.05 7.16 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.007 -0.997 . . . . 25.0 110.834 -173.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -58.62 -25.17 62.39 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 116.213 1.931 . . . . 25.0 116.213 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.304 0.8 OUTLIER -108.41 -14.86 14.58 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 115.969 1.84 . . . . 25.0 115.969 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' A' ' 74' ' ' THR . 88.4 mm-40 -81.75 153.59 70.34 Favored Pre-proline 0 C--N 1.298 -1.672 0 CA-C-N 111.505 -2.588 . . . . 25.0 107.859 176.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.55 173.91 13.69 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 121.663 1.575 . . . . 25.0 115.31 -173.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 57.67 49.81 11.83 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 173.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.0 -14.15 32.6 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 -42.29 13.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.171 0.986 . . . . 25.0 109.604 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.99 -38.27 22.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.73 -57.72 20.5 Favored Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 119.697 -0.801 . . . . 25.0 110.929 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.39 -23.51 44.15 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 114.367 -3.289 . . . . 25.0 114.201 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.25 -37.16 86.15 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 118.187 0.449 . . . . 25.0 110.064 173.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -84.25 -30.07 25.97 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.68 -44.45 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.421 0.288 . . . . 25.0 110.816 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.51 -58.52 13.73 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.79 -12.34 32.64 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 114.962 -2.892 . . . . 25.0 115.327 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.15 -24.59 62.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.736 -0.602 . . . . 25.0 110.593 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.58 89.73 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.374 1.083 . . . . 25.0 112.597 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -74.02 -30.29 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.26 130.57 43.5 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -100.48 119.96 39.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.28 120.68 9.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.259 0.349 . . . . 25.0 110.924 -173.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -124.28 144.6 49.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 68' ' ' LEU . 97.4 m -113.97 160.04 19.26 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.597 1.559 . . . . 25.0 108.747 170.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 116' ' ' THR . 65.8 m -129.84 120.54 25.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -114.24 132.12 56.25 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -125.24 109.03 12.33 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.1 mt -97.97 119.18 45.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -90.39 125.22 35.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 105.42 -2.067 . . . . 25.0 105.42 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.33 135.26 44.26 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 104.44 -2.43 . . . . 25.0 104.44 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -103.79 102.8 33.2 Favored Pre-proline 0 CA--C 1.491 -1.298 1 N-CA-C 97.055 -5.165 . . . . 50.0 97.055 -171.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.95 -24.98 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.035 1 C-N-CA 106.592 -8.472 . . . . 25.0 114.02 -172.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.29 -22.69 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.913 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -119.59 2.85 11.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.98 29.02 74.28 Favored Glycine 0 N--CA 1.465 0.599 0 CA-C-O 122.586 1.103 . . . . 25.0 112.21 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.01 167.38 15.4 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.147 -1.026 . . . . 25.0 108.275 -174.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.4 ptt? -148.23 157.57 43.57 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 170.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -149.7 143.84 25.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.079 0.551 . . . . 25.0 110.207 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.44 115.63 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.743 0.782 . . . . 25.0 109.79 175.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -92.22 -29.3 16.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.457 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.92 145.11 28.49 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.95 116.47 6.19 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 98' ' ' SER . 0.6 OUTLIER -125.26 153.19 43.58 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 101.189 -3.634 . . . . 25.0 101.189 177.055 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 1.0 OUTLIER -148.04 -179.57 7.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.886 0.85 . . . . 25.0 112.732 -177.343 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.77 160.28 15.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.063 -1.88 . . . . 25.0 111.193 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.66 149.6 46.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.284 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.018 -0.991 . . . . 25.0 112.185 -178.591 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.156 0 CA-C-O 119.339 -0.7 . . . . 25.0 111.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.89 151.14 86.54 Favored 'Trans proline' 0 C--N 1.346 0.4 0 CA-C-N 118.952 1.376 . . . . 25.0 110.718 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.56 138.67 47.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.22 148.78 29.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 171.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.68 159.31 31.12 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.562 -2.385 . . . . 25.0 104.562 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 p -82.67 160.17 22.48 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.9 -13.29 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.603 0.716 . . . . 50.0 110.489 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -86.54 -22.7 26.19 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.879 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.9 mp0 -55.01 138.49 43.74 Favored 'General case' 0 CA--C 1.457 -2.633 1 N-CA-C 121.915 4.043 . . . . 25.0 121.915 172.336 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.16 -41.74 84.46 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 112.038 -2.346 . . . . 25.0 110.818 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.14 75.47 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.687 -1.142 . . . . 25.0 112.472 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.28 -47.29 15.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 118.197 0.999 . . . . 50.0 109.462 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -53.93 -43.22 69.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 118.855 0.752 . . . . 25.0 112.593 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.22 68.55 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.848 -0.741 . . . . 25.0 112.652 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.38 -34.46 21.75 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.2 mt -58.53 -62.66 1.69 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -68.62 -31.12 70.05 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 123.851 0.719 . . . . 25.0 109.796 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -45.3 84.59 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 27' ' ' LEU 0.268 1.2 t -76.68 -37.0 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.225 0 N-CA-C 105.551 -2.018 . . . . 50.0 105.551 -174.318 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.65 -36.74 93.69 Favored Glycine 0 C--O 1.207 -1.555 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.5 tt0 -85.25 -28.26 25.49 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.407 1.099 . . . . 25.0 111.95 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -86.77 -62.91 1.4 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 116.166 1.913 . . . . 25.0 116.166 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.26 -52.07 6.52 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.848 -1.978 . . . . 25.0 112.199 -172.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.8 -30.89 67.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.97 -178.07 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.43 -32.08 66.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -78.36 152.9 32.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.437 -0.802 . . . . 25.0 110.43 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -90.03 56.72 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.687 0.756 . . . . 25.0 108.999 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.27 129.48 39.89 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.41 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.9 mmm -69.54 -15.69 63.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.193 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -126.45 163.24 23.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -79.7 112.56 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m -121.8 145.24 48.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.093 -1.818 . . . . 25.0 106.093 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -156.29 166.62 32.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -72.98 102.43 3.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 170.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.28 -48.35 67.96 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.92 0.867 . . . . 25.0 111.851 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.83 130.7 13.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.022 -1.445 . . . . 25.0 108.894 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.85 129.49 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.92 -41.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.467 -0.788 . . . . 50.0 109.032 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -144.9 142.78 30.17 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.12 112.46 6.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.03 168.78 24.14 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 121.785 0.803 . . . . 25.0 113.022 -176.764 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 134.68 40.33 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.637 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -98.57 122.06 41.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 105.569 -2.011 . . . . 25.0 105.569 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.04 141.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.56 -167.09 39.93 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 107.147 -2.381 . . . . 25.0 107.147 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -24.56 67.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.83 0.815 . . . . 25.0 109.49 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.95 138.4 11.7 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 103.458 -3.857 . . . . 25.0 103.458 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 132.31 58.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 107.49 -1.3 . . . . 50.0 107.49 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -126.65 126.23 43.22 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.861 -0.524 . . . . 25.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -93.25 130.73 38.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 104.035 -2.58 . . . . 25.0 104.035 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.0 m-85 -118.84 119.28 33.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.4 116.09 18.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 123.551 0.532 . . . . 25.0 109.664 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -112.24 140.52 46.87 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-O 123.435 1.588 . . . . 25.0 108.681 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.14 141.05 19.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 120.267 3.432 . . . . 50.0 120.267 -166.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -90.7 131.65 36.26 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.494 -1.684 . . . . 25.0 109.365 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -98.29 157.59 16.09 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.348 1.07 . . . . 25.0 110.927 177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.51 177.47 48.26 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 103.373 -3.891 . . . . 25.0 103.373 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -118.55 139.73 51.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -103.07 145.63 29.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.0 p -74.04 -23.82 59.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.379 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.88 167.33 10.59 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -93.77 164.86 12.96 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.133 1.444 . . . . 25.0 110.964 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -60.2 -26.62 66.51 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.398 -2.183 . . . . 25.0 115.193 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -103.17 -14.55 16.33 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 -178.595 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.7 151.92 60.11 Favored Pre-proline 0 C--N 1.298 -1.639 0 CA-C-N 112.995 -1.911 . . . . 25.0 115.94 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.58 17.46 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.719 2.279 . . . . 25.0 112.807 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -108.32 8.54 27.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -173.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.13 -10.6 2.87 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 118.599 2.815 . . . . 25.0 118.599 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.6 -42.32 10.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 120.27 1.395 . . . . 25.0 112.07 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -87.92 -25.26 23.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.176 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.84 -59.69 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.386 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.81 -23.34 26.11 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.254 -3.364 . . . . 25.0 113.741 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.89 -36.49 77.07 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.426 0.557 . . . . 25.0 110.444 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -83.55 -42.67 16.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.596 0.712 . . . . 25.0 111.481 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.28 -41.13 77.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -172.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.39 -55.79 36.08 Favored Pre-proline 0 C--O 1.239 0.527 0 CA-C-N 119.327 0.967 . . . . 25.0 111.395 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.07 -19.8 34.18 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 114.022 -3.519 . . . . 25.0 114.858 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -71.46 -33.04 68.98 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.096 -0.377 . . . . 25.0 111.406 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 105.17 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.686 0.755 . . . . 25.0 112.506 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.14 -32.34 33.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -76.66 132.02 39.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 104.08 -2.563 . . . . 25.0 104.08 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -126.73 133.1 50.95 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.823 -2.288 . . . . 25.0 104.823 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.57 140.29 31.67 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -124.26 139.65 53.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.645 0.736 . . . . 25.0 112.245 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.2 m -112.79 159.24 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.993 -1.003 . . . . 25.0 111.171 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -129.68 115.31 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.151 -0.931 . . . . 25.0 108.721 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -109.04 134.13 52.07 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -130.38 113.66 14.61 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.7 mt -101.66 120.36 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -90.21 126.38 35.8 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.2 135.01 46.47 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.55 103.57 24.82 Favored Pre-proline 0 CA--C 1.491 -1.306 1 N-CA-C 97.314 -5.069 . . . . 50.0 97.314 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.44 -20.08 16.35 Favored 'Trans proline' 0 N--CA 1.451 -1.007 1 C-N-CA 106.488 -8.542 . . . . 25.0 115.016 -169.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.89 -28.34 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -115.38 -2.04 12.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.42 16.19 75.47 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 111.461 -0.656 . . . . 25.0 111.461 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -100.34 167.29 10.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.415 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.8 ptp -148.15 157.4 43.48 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 170.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -144.01 141.37 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.455 0.702 . . . . 25.0 110.102 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.67 115.74 6.16 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -90.94 -31.11 16.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.449 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -147.67 142.28 26.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 t -144.97 114.45 7.15 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 103.699 -2.704 . . . . 25.0 103.699 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -133.67 146.65 51.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.6 m -148.08 171.46 15.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 25.0 111.739 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -123.65 151.64 42.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -71.93 140.64 49.31 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.276 1.214 . . . . 25.0 114.276 -175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.566 -0.73 . . . . 25.0 109.591 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.375 0 N-CA-C 112.428 -0.269 . . . . 25.0 112.428 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.28 145.42 18.99 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 118.309 1.054 . . . . 25.0 114.673 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.2 ptp -148.85 137.11 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.76 141.19 31.59 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.31 153.15 30.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -75.28 156.15 35.94 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.58 -17.46 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.14 -27.79 62.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.959 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.283 1.0 OUTLIER -58.74 133.26 55.79 Favored 'General case' 0 CA--C 1.429 -3.675 0 N-CA-C 120.528 3.529 . . . . 25.0 120.528 176.615 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.15 -27.11 67.77 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 113.451 -1.704 . . . . 25.0 112.319 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.12 74.58 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.152 -0.779 . . . . 25.0 111.152 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.44 -48.15 15.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.255 0 CA-C-N 117.355 0.577 . . . . 50.0 110.064 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -53.19 -42.28 66.09 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.923 0.489 . . . . 25.0 111.982 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -26.97 68.31 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.48 -33.03 21.94 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.09 -62.9 1.43 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.58 -33.71 74.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.505 0.503 . . . . 25.0 111.124 -173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.49 -48.83 75.99 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.23 86.03 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.2 t -76.34 -36.55 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 105.891 -1.892 . . . . 50.0 105.891 -174.254 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.49 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.61 -35.75 92.45 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 107.962 -2.055 . . . . 25.0 107.962 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 76.9 tt0 -85.22 -28.67 25.25 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.232 1.015 . . . . 25.0 111.924 -176.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -86.73 -62.91 1.4 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.3 -52.55 6.13 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 112.269 -2.241 . . . . 25.0 112.182 -171.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -70.42 -30.71 67.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.992 -178.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.05 -32.18 66.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -75.02 155.97 36.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.945 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.55 51.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.436 0.636 . . . . 25.0 109.953 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -66.13 131.14 45.5 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.465 0.65 . . . . 25.0 109.598 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.6 mmt -70.07 -19.58 63.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.577 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -112.43 163.64 14.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -102.17 143.06 32.45 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -144.27 155.0 43.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.292 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.83 102.35 5.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 101.394 -3.558 . . . . 25.0 101.394 168.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.78 -45.62 74.34 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -151.31 129.41 11.85 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.2 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.23 126.46 39.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.45 -47.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -146.97 145.09 29.64 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.24 115.08 9.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.09 167.98 26.74 Favored 'General case' 0 CA--C 1.487 -1.443 0 CA-C-O 121.972 0.891 . . . . 25.0 112.58 -171.551 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.09 153.88 50.44 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 113.84 -1.527 . . . . 25.0 109.174 -175.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.71 119.0 26.81 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 105.365 -2.087 . . . . 25.0 105.365 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.1 mt -105.71 132.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 25.0 110.338 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.56 -154.91 9.52 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 106.808 -2.517 . . . . 25.0 106.808 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.17 70.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.877 0.839 . . . . 25.0 109.072 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.68 155.54 16.1 Favored Glycine 0 N--CA 1.446 -0.646 1 N-CA-C 102.773 -4.131 . . . . 25.0 102.773 173.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.87 134.33 64.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -127.34 129.36 47.48 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.093 -0.379 . . . . 25.0 110.857 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -104.72 135.05 46.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.428 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 29.1 m-85 -117.82 124.76 49.16 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.32 116.03 19.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -114.19 135.28 54.22 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 123.244 1.497 . . . . 25.0 109.14 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.3 141.7 19.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 N-CA-C 121.264 3.801 . . . . 50.0 121.264 -165.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -90.36 130.87 36.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.367 -1.742 . . . . 25.0 108.931 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.33 152.29 21.73 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.356 1.074 . . . . 25.0 112.085 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.76 169.59 42.56 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 104.388 -3.485 . . . . 25.0 104.388 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -112.98 139.31 48.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -112.74 148.68 34.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.011 0.434 . . . . 25.0 111.197 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -71.98 -29.24 64.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.858 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.77 165.68 11.08 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 p -105.54 174.83 5.71 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.937 -1.483 . . . . 25.0 108.119 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -60.32 -24.4 64.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.288 0.8 OUTLIER -104.79 -14.36 15.56 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 118.661 2.837 . . . . 25.0 118.661 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.44 147.5 48.81 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 112.508 -2.133 . . . . 25.0 113.04 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.6 28.38 0.41 Allowed 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.692 2.928 . . . . 25.0 113.808 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -129.82 9.99 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -172.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.82 -14.79 1.54 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 120.893 3.664 . . . . 25.0 120.893 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -42.27 10.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 120.806 1.639 . . . . 25.0 111.188 175.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -84.4 -30.59 25.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.199 -0.909 . . . . 25.0 112.318 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -60.71 9.7 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.536 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -70.54 -24.17 26.41 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 114.678 -3.082 . . . . 25.0 113.972 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.61 -37.19 77.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.374 0.534 . . . . 25.0 110.494 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -83.63 -43.14 15.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.348 0.594 . . . . 25.0 111.633 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.58 -44.45 74.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -57.57 -50.94 85.31 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 119.053 0.842 . . . . 25.0 112.601 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.08 -18.15 27.62 Favored 'Trans proline' 0 CA--C 1.541 0.852 1 C-N-CA 113.13 -4.113 . . . . 25.0 114.67 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -68.58 -28.19 66.72 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.608 -0.682 . . . . 25.0 110.197 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.57 80.36 1.08 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.929 0.871 . . . . 25.0 109.444 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -33.52 65.99 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -89.3 133.87 34.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 101.482 -3.525 . . . . 25.0 101.482 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.02 142.21 51.6 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.14 143.22 49.68 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.25 134.22 53.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.654 0.74 . . . . 25.0 109.114 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.45 158.04 28.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.523 -1.217 . . . . 25.0 110.058 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -129.78 131.03 46.09 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -118.96 132.44 56.08 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -123.27 112.56 17.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.318 -0.855 . . . . 25.0 108.8 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.69 118.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -90.3 127.86 36.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.275 -2.12 . . . . 25.0 105.275 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -105.63 134.44 48.74 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.64 103.05 29.97 Favored Pre-proline 0 C--N 1.309 -1.155 1 N-CA-C 96.547 -5.353 . . . . 50.0 96.547 -171.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.21 -23.05 13.83 Favored 'Trans proline' 0 N--CA 1.452 -0.913 1 C-N-CA 106.711 -8.393 . . . . 25.0 114.743 -168.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -62.63 -21.22 65.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 25.0 113.942 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.07 -4.47 12.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.693 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.52 75.63 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -105.34 167.08 9.97 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.9 ptp -148.13 157.69 43.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.7 m -142.78 140.74 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.105 0.562 . . . . 25.0 110.21 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -66.2 112.79 4.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 t -84.41 -32.05 24.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.359 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -154.36 142.85 20.67 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.188 0.518 . . . . 25.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 p -133.36 127.45 33.53 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 101.891 -3.374 . . . . 25.0 101.891 170.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -138.0 145.09 41.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 104.123 -2.547 . . . . 25.0 104.123 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.04 172.89 13.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -129.52 154.0 47.45 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.38 145.84 26.71 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.461 -1.257 . . . . 25.0 108.282 178.146 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 N-CA-C 114.379 0.512 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -73.68 145.56 37.19 Favored 'Trans proline' 0 C--N 1.343 0.268 0 CA-C-N 119.197 1.498 . . . . 25.0 115.676 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.91 146.83 28.07 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.5 149.63 23.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.04 158.59 38.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.823 -1.917 . . . . 25.0 105.823 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -78.7 161.88 26.58 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.61 -15.82 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.251 0.548 . . . . 50.0 111.0 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.7 -25.91 37.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.867 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 2.5 mp0 -50.3 135.99 20.76 Favored 'General case' 0 CA--C 1.452 -2.82 1 N-CA-C 122.514 4.264 . . . . 25.0 122.514 173.157 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -59.88 -35.11 74.14 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 112.491 -2.141 . . . . 25.0 110.607 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -24.3 76.87 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.25 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.2 t -88.42 -47.91 15.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-N 118.083 0.942 . . . . 50.0 110.697 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -54.15 -38.58 65.65 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -28.43 69.61 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 119.382 -0.927 . . . . 25.0 111.952 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.75 20.03 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 mt -55.97 -62.94 1.36 Allowed 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.5 -31.96 70.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.922 0.764 . . . . 25.0 110.274 -170.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.85 -47.75 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.81 88.52 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 31' ' ' VAL 0.292 1.0 OUTLIER -73.2 -39.31 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 105.017 -2.216 . . . . 50.0 105.017 -173.814 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.2 -37.4 94.46 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 108.6 -1.8 . . . . 25.0 108.6 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 82.9 tt0 -85.41 -29.43 24.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 122.131 0.967 . . . . 25.0 112.05 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -87.09 -62.86 1.41 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 123.791 1.757 . . . . 25.0 115.623 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -84.33 -51.74 6.74 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.206 -2.27 . . . . 25.0 112.106 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -71.41 -30.66 66.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.059 -0.518 . . . . 25.0 109.714 -178.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.78 -32.14 67.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -79.47 155.15 28.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.846 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -101.32 51.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.436 0.636 . . . . 25.0 110.284 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.21 126.6 29.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.33 -0.618 . . . . 25.0 109.33 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.66 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.637 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -99.36 148.92 23.68 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.56 112.5 23.1 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.139 -1.424 . . . . 25.0 113.085 -171.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -95.58 147.66 23.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 104.62 -2.363 . . . . 25.0 104.62 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -158.9 165.62 33.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.35 102.59 5.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.186 -2.894 . . . . 25.0 103.186 171.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.07 -43.53 34.02 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.829 0.824 . . . . 25.0 111.737 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -151.09 125.58 9.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.481 -1.236 . . . . 25.0 108.533 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.12 131.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.05 -43.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.611 -0.722 . . . . 50.0 109.055 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.73 139.99 33.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.02 109.98 6.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.57 168.81 24.34 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 121.251 0.548 . . . . 25.0 112.476 -177.566 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.19 151.71 35.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.518 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.2 tt0 -99.08 129.55 45.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.5 mm -101.2 138.3 25.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.359 -1.719 . . . . 25.0 106.359 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.83 -164.75 34.87 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 110.355 -1.098 . . . . 25.0 110.355 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.37 66.59 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.239 0.542 . . . . 25.0 109.959 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.86 11.16 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 104.379 -3.489 . . . . 25.0 104.379 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.06 114.98 47.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 118.032 0.916 . . . . 50.0 108.838 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.33 118.81 36.87 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.098 -0.376 . . . . 25.0 110.027 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -91.62 133.54 35.46 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 94.1 m-85 -123.34 117.6 25.62 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.11 116.05 17.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.886 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -111.98 139.26 47.63 Favored 'General case' 0 CA--C 1.48 -1.733 0 CA-C-O 123.411 1.577 . . . . 25.0 108.753 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 HG22 ' A' ' 49' ' ' VAL 0.338 0.9 OUTLIER -141.69 133.44 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 N-CA-C 120.637 3.569 . . . . 50.0 120.637 -168.277 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.54 135.93 33.39 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 112.858 -1.974 . . . . 25.0 107.782 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.1 mp -115.77 143.54 45.24 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.23 165.34 30.79 Favored Glycine 0 N--CA 1.439 -1.136 1 N-CA-C 102.965 -4.054 . . . . 25.0 102.965 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -125.78 133.08 52.15 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -88.64 142.88 27.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.3 p -75.82 -17.81 59.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.494 0.664 . . . . 25.0 109.562 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.7 m -99.98 160.54 14.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.628 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -131.1 178.26 6.83 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.379 -172.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.35 -27.33 62.16 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.096 1.887 . . . . 25.0 116.096 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.307 0.8 OUTLIER -107.17 -15.35 14.69 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 116.17 1.915 . . . . 25.0 116.17 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.628 ' HB2' ' H ' ' A' ' 74' ' ' THR . 89.2 mm-40 -83.21 153.56 66.2 Favored Pre-proline 0 C--N 1.298 -1.661 0 CA-C-N 111.466 -2.606 . . . . 25.0 108.718 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.93 177.23 9.0 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 121.571 1.514 . . . . 25.0 114.875 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 61.79 41.9 11.22 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.63 -14.64 45.56 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -42.13 15.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 122.336 1.065 . . . . 25.0 109.525 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -86.9 -35.52 18.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.5 m -63.88 -58.97 12.61 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.607 -0.837 . . . . 25.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -65.31 -26.12 56.38 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.596 -3.136 . . . . 25.0 114.771 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.78 -40.05 82.84 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.539 0.609 . . . . 25.0 110.282 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -84.49 -30.05 25.51 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.33 -36.17 82.23 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.709 -0.619 . . . . 25.0 112.136 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.59 -55.26 44.17 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -21.72 58.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 114.649 -3.101 . . . . 25.0 114.443 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -70.23 -15.24 62.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 111.197 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.29 63.6 1.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.309 0.576 . . . . 25.0 110.716 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -68.49 -32.04 71.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 104.917 -2.253 . . . . 25.0 104.917 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -84.24 105.81 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.085 -2.191 . . . . 25.0 105.085 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.86 136.59 34.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.14 124.07 14.33 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -124.33 141.79 51.79 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 68' ' ' LEU . 95.1 m -98.74 160.13 14.48 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 125.334 1.454 . . . . 25.0 108.282 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -129.71 124.25 33.09 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -117.28 127.13 53.77 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.51 117.46 19.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mt -109.48 124.95 66.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -93.22 124.2 37.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.92 133.66 45.07 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 103.156 -2.905 . . . . 25.0 103.156 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -102.25 103.24 29.43 Favored Pre-proline 0 N--CA 1.436 -1.139 1 N-CA-C 95.47 -5.752 . . . . 50.0 95.47 -173.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.21 -24.03 12.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.52 -8.52 . . . . 25.0 114.417 -170.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -59.58 -28.93 67.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.589 -1.187 . . . . 25.0 113.474 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -108.34 -5.48 16.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.798 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.37 17.24 79.72 Favored Glycine 0 C--O 1.228 -0.268 0 CA-C-O 122.117 0.843 . . . . 25.0 111.452 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -109.91 167.36 10.22 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 33.3 mtt -148.11 157.45 43.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.1 m -142.0 137.63 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.011 0.524 . . . . 25.0 109.75 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.97 102.31 1.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -79.7 -30.65 41.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -146.13 132.16 19.27 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.06 0.457 . . . . 25.0 111.457 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 117.07 17.88 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 171.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.18 154.24 50.81 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.392 -2.447 . . . . 25.0 104.392 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.6 179.74 6.64 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.607 0.718 . . . . 25.0 111.495 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.438 ' H ' ' NE2' ' A' ' 118' ' ' GLN . 0.3 OUTLIER -106.53 160.09 15.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -170.555 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.39 151.63 44.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.452 -1.684 . . . . 25.0 106.452 170.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 117.95 -1.024 . . . . 25.0 109.858 178.57 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.623 0 N-CA-C 110.662 -0.975 . . . . 25.0 110.662 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.4 143.81 15.71 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 117.149 -1.434 . . . . 25.0 113.057 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -148.91 150.25 32.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.97 147.54 22.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 150.69 43.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 103.122 -2.918 . . . . 25.0 103.122 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.0 p -78.99 158.34 27.96 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.962 -0.563 . . . . 25.0 109.652 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.87 -15.42 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.511 0.672 . . . . 50.0 110.463 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -82.54 -25.98 32.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.006 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.301 2.6 mp0 -53.43 132.14 39.22 Favored 'General case' 0 CA--C 1.432 -3.57 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.39 -24.89 63.93 Favored 'General case' 0 N--CA 1.406 -2.666 0 C-N-CA 117.352 -1.739 . . . . 25.0 111.075 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.7 -23.25 73.93 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.771 -0.932 . . . . 25.0 110.771 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -88.58 -44.64 15.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -53.3 -42.85 67.03 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.53 69.37 Favored 'General case' 0 C--O 1.198 -1.616 0 C-N-CA 119.84 -0.744 . . . . 25.0 112.831 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.49 -32.71 22.09 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.91 -62.77 1.57 Allowed 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.23 -33.43 75.34 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.915 0.759 . . . . 25.0 110.477 -173.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.62 -49.66 74.34 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.47 76.58 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -75.9 -36.67 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.951 -1.87 . . . . 50.0 105.951 -173.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -60.93 -38.54 95.6 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 108.027 -2.029 . . . . 25.0 108.027 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 52.8 mt-10 -85.48 -26.79 26.08 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-O 122.818 1.294 . . . . 25.0 113.587 -176.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -87.11 -62.95 1.39 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 116.413 2.005 . . . . 25.0 116.413 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -83.67 -53.48 5.61 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 112.726 -2.034 . . . . 25.0 112.961 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.89 -31.82 71.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.957 -178.334 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -74.86 153.28 38.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.754 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -87.03 55.03 3.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.586 0.708 . . . . 25.0 110.195 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -67.03 129.36 39.65 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.856 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mtp -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.08 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -123.7 164.08 19.83 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -85.94 112.91 21.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 m -117.94 142.83 46.92 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.1 159.55 44.33 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.899 -0.321 . . . . 25.0 110.998 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.27 102.13 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 169.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.74 -49.56 45.6 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.756 0.789 . . . . 25.0 110.829 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -148.07 129.86 15.16 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 113.943 -1.481 . . . . 25.0 107.949 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.635 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.34 129.42 37.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.586 -1.264 . . . . 50.0 107.586 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -87.05 -44.02 16.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.058 -1.09 . . . . 50.0 108.058 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -142.99 140.62 31.1 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 117.86 12.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 106.884 -1.524 . . . . 25.0 106.884 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.63 167.77 27.8 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-O 121.596 0.712 . . . . 25.0 112.145 -172.627 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.73 143.06 33.33 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.649 -1.159 . . . . 25.0 110.324 -174.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -113.99 115.91 28.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.51 -2.404 . . . . 25.0 104.51 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.19 134.56 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.97 -160.19 25.62 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 108.58 -1.808 . . . . 25.0 108.58 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.79 68.61 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 117.687 0.744 . . . . 25.0 109.996 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.59 145.78 17.0 Favored Glycine 0 N--CA 1.448 -0.505 1 N-CA-C 101.119 -4.792 . . . . 25.0 101.119 172.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 83.5 t -121.6 132.68 70.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 CA-C-N 118.66 1.23 . . . . 50.0 108.075 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -125.88 136.24 52.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -105.66 137.42 43.54 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 104.251 -2.5 . . . . 25.0 104.251 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.42 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.5 m-85 -123.1 132.14 53.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.942 -2.244 . . . . 25.0 104.942 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -138.14 116.97 12.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -114.72 135.56 54.03 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 123.488 1.614 . . . . 25.0 108.508 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.66 141.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 120.869 3.655 . . . . 50.0 120.869 -164.389 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.02 136.58 33.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.498 -1.683 . . . . 25.0 108.599 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.57 149.46 32.71 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.124 0.964 . . . . 25.0 113.134 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.99 161.02 34.39 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 103.872 -3.691 . . . . 25.0 103.872 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -95.06 139.63 31.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 p -94.64 143.02 26.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -174.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.3 p -75.22 -17.75 60.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.96 154.89 18.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.617 0.723 . . . . 25.0 111.859 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.516 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 21.4 p -95.77 173.42 7.47 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 174.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -62.75 -17.0 60.2 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 115.659 1.725 . . . . 25.0 115.659 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.25 -14.29 13.84 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 119.013 2.968 . . . . 25.0 119.013 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 74' ' ' THR . 18.5 mm-40 -53.78 146.86 25.14 Favored Pre-proline 0 C--N 1.295 -1.79 0 CA-C-N 112.251 -2.25 . . . . 25.0 113.354 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.88 0.66 9.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 121.389 1.393 . . . . 25.0 115.519 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -123.2 40.0 3.82 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.987 1.477 . . . . 25.0 114.987 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.37 -14.19 25.58 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.916 1.821 . . . . 25.0 115.916 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -84.26 -42.23 16.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.051 0.929 . . . . 25.0 109.392 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -78.87 -39.02 36.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.54 -61.13 8.58 Favored Pre-proline 0 C--O 1.215 -0.737 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -67.34 -21.37 47.5 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 114.642 -3.105 . . . . 25.0 114.431 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.52 -38.27 90.43 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -83.55 -33.21 25.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.85 -42.66 99.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.916 0.486 . . . . 25.0 111.611 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.82 -56.18 38.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.45 -17.18 34.6 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 114.707 -3.062 . . . . 25.0 114.532 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.56 -29.09 69.07 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.6 85.59 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.291 0.567 . . . . 25.0 112.336 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -76.91 -32.73 57.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 173.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -95.22 136.02 36.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 101.515 -3.513 . . . . 25.0 101.515 171.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -127.12 148.37 50.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.93 136.79 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -124.24 138.35 54.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 40.2 m -104.58 159.77 15.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.664 -1.153 . . . . 25.0 111.367 172.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 m -129.82 118.14 21.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.62 136.68 51.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 51.9 tt0 -130.34 118.01 20.62 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.4 mt -107.2 120.31 58.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -90.44 123.17 33.94 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.473 -2.047 . . . . 25.0 105.473 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.71 133.61 44.92 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.537 -2.394 . . . . 25.0 104.537 178.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.89 103.09 31.33 Favored Pre-proline 0 CA--C 1.49 -1.363 1 N-CA-C 97.78 -4.896 . . . . 50.0 97.78 -171.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.41 -19.11 17.32 Favored 'Trans proline' 0 N--CA 1.45 -1.037 1 C-N-CA 106.571 -8.486 . . . . 25.0 114.716 -170.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.05 -29.03 59.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -117.22 -1.99 11.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.07 78.74 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-O 122.232 0.906 . . . . 25.0 111.365 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 p -101.63 167.25 10.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.109 0.964 . . . . 25.0 109.32 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.08 157.6 43.6 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 169.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 m -143.7 139.54 29.56 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.331 0.653 . . . . 25.0 109.461 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.4 114.21 4.65 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -88.83 -27.77 20.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.543 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 9.0 ttmt -152.15 138.1 18.11 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.83 107.97 5.48 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.746 -2.316 . . . . 25.0 104.746 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -130.92 148.83 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 2.4 t -155.59 178.24 10.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -116.58 150.88 37.31 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -66.56 137.15 56.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.643 0.201 . . . . 25.0 110.912 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.479 0 CA-C-O 117.583 -1.199 . . . . 25.0 110.32 -175.56 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.469 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -79.7 146.95 19.21 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 CA-C-N 119.443 1.622 . . . . 25.0 115.309 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ptm -148.91 139.98 23.03 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 140.97 31.69 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 173.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.32 163.84 15.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -69.32 144.73 53.43 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.582 ' HA ' HG11 ' A' ' 23' ' ' VAL . 11.4 m -68.65 -16.65 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.61 1.095 . . . . 50.0 109.013 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.05 -5.91 56.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.23 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.07 140.76 56.64 Favored 'General case' 0 CA--C 1.426 -3.809 0 N-CA-C 116.709 2.114 . . . . 25.0 116.709 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -70.3 -29.47 66.23 Favored 'General case' 0 N--CA 1.4 -2.927 0 C-N-CA 116.749 -1.981 . . . . 25.0 111.553 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.52 -24.93 73.91 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 110.122 -1.191 . . . . 25.0 110.122 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 18' ' ' VAL . 47.3 t -85.34 -47.79 16.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 CA-C-N 117.466 0.633 . . . . 50.0 110.617 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -48.36 -48.51 36.5 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.645 0.657 . . . . 25.0 112.542 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -28.35 69.64 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 112.883 0.698 . . . . 25.0 112.883 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB1' HD21 ' A' ' 64' ' ' LEU . . . -85.56 -34.13 21.56 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -176.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.5 mt -61.62 -56.19 22.48 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.5 -30.75 63.32 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.505 0.503 . . . . 25.0 110.04 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.61 -48.1 78.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.42 -47.87 66.07 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.271 1.1 t -74.65 -37.8 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 106.876 -1.528 . . . . 50.0 106.876 -174.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.0 -35.75 92.53 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 108.143 -1.983 . . . . 25.0 108.143 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 2.3 tt0 -85.52 -28.62 24.82 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.607 1.194 . . . . 25.0 111.752 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.82 -62.98 1.38 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 116.117 1.895 . . . . 25.0 116.117 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -84.22 -52.54 6.16 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 112.83 -1.986 . . . . 25.0 111.579 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -71.08 -28.91 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.668 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.9 -32.01 65.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -76.78 159.28 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -63.54 126.1 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.093 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.3 101.43 6.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -92.64 -35.18 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.528 0.68 . . . . 25.0 110.19 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -147.29 136.73 22.68 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.885 -3.006 . . . . 25.0 102.885 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 112.56 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.895 0.747 . . . . 25.0 109.941 -177.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -130.23 136.38 49.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -150.98 164.37 36.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.088 -0.383 . . . . 25.0 111.974 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.45 102.29 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.01 -47.81 27.23 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 122.174 0.988 . . . . 25.0 111.388 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -140.04 121.57 15.17 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 113.968 -1.469 . . . . 25.0 109.1 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.98 128.57 38.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.1 t -87.32 -44.1 15.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -144.66 146.61 32.34 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.96 115.84 8.77 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -148.37 162.42 39.59 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-O 121.503 0.668 . . . . 25.0 110.471 -173.805 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -131.77 164.87 25.06 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.801 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -131.05 118.56 20.74 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.461 -2.052 . . . . 25.0 105.461 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.02 131.23 53.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.615 -0.513 . . . . 25.0 109.615 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -157.98 17.31 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 106.759 -2.536 . . . . 25.0 106.759 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.6 -25.41 68.22 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.896 0.848 . . . . 25.0 110.038 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.16 154.06 16.82 Favored Glycine 0 N--CA 1.449 -0.493 1 N-CA-C 102.683 -4.167 . . . . 25.0 102.683 174.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.07 133.58 67.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 CA-C-N 118.602 1.201 . . . . 50.0 108.421 -176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -121.72 139.31 53.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -111.75 115.96 29.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.155 -1.795 . . . . 25.0 106.155 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.444 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.1 m-85 -106.78 120.93 43.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD21 ' HB1' ' A' ' 26' ' ' ALA . 1.4 mm? -121.29 132.01 54.55 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.72 131.01 56.13 Favored 'General case' 0 CA--C 1.482 -1.655 0 CA-C-O 123.754 1.74 . . . . 25.0 106.396 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.618 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.12 138.38 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 N-CA-C 121.424 3.861 . . . . 50.0 121.424 -166.207 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -94.59 119.0 32.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.339 -2.209 . . . . 25.0 105.905 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.95 140.94 29.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.942 -1.027 . . . . 25.0 108.649 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.74 179.16 27.69 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.852 -1.699 . . . . 25.0 108.852 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -132.03 163.46 28.37 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.329 0.252 . . . . 25.0 110.57 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -119.86 142.87 48.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 p -82.75 -20.09 36.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 25.0 110.444 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.39 160.31 14.44 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.989 0.899 . . . . 25.0 111.702 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -105.82 177.07 4.96 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.975 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.28 -22.97 63.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.266 0.8 OUTLIER -107.33 -14.41 14.89 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 117.558 2.429 . . . . 25.0 117.558 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -60.17 153.58 56.39 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 111.988 -2.369 . . . . 25.0 111.648 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.83 165.35 32.46 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 N-CA-C 113.492 0.535 . . . . 25.0 113.492 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.92 62.43 2.24 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.579 2.066 . . . . 25.0 116.579 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.87 -10.79 6.14 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -42.34 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.382 1.087 . . . . 25.0 110.7 177.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.89 -39.31 14.89 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.26 -54.12 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 119.769 -0.773 . . . . 25.0 111.015 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 87.7 Cg_endo -70.21 -23.02 29.2 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 113.892 -3.605 . . . . 25.0 114.21 177.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.9 -38.36 82.06 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 118.785 0.72 . . . . 25.0 109.442 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -84.64 -20.16 31.77 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 36.5 m-20 -71.7 -37.85 70.64 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.962 -0.462 . . . . 25.0 110.453 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.44 -54.79 47.1 Favored Pre-proline 0 N--CA 1.469 0.52 0 O-C-N 121.406 -0.809 . . . . 25.0 113.085 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -71.15 -11.44 28.93 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 115.391 -2.606 . . . . 25.0 114.268 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -73.78 -32.15 63.65 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.68 77.87 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.57 0.7 . . . . 25.0 109.723 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -13.62 59.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.525 0.678 . . . . 25.0 110.102 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -125.19 125.86 44.31 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 100.953 -3.721 . . . . 25.0 100.953 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -122.89 139.93 53.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 103.586 -2.746 . . . . 25.0 103.586 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.55 145.09 29.94 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 50.2 p90 -117.56 133.16 56.26 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -130.47 160.13 35.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.107 -1.406 . . . . 25.0 111.264 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -128.12 128.84 45.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -124.44 119.57 29.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.221 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -112.38 112.65 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.11 122.91 52.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 105.892 -1.892 . . . . 25.0 105.892 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -90.23 125.07 35.36 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 104.914 -2.254 . . . . 25.0 104.914 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.85 132.87 48.74 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 104.409 -2.441 . . . . 25.0 104.409 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.9 103.25 27.88 Favored Pre-proline 0 N--CA 1.434 -1.25 1 N-CA-C 97.258 -5.09 . . . . 50.0 97.258 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.4 -21.78 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.929 1 C-N-CA 106.464 -8.557 . . . . 25.0 115.108 -168.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -59.26 -32.08 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.262 -0.881 . . . . 25.0 112.71 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -107.68 -2.53 20.06 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.369 -0.207 . . . . 25.0 111.377 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.93 75.8 Favored Glycine 0 N--CA 1.459 0.205 0 CA-C-O 122.081 0.823 . . . . 25.0 111.714 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -101.76 167.48 10.06 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 12.5 ptm -148.21 157.47 43.51 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 170.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -149.22 140.69 23.34 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.217 0.607 . . . . 25.0 110.354 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.44 112.88 3.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.48 0.657 . . . . 25.0 110.155 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -88.7 -32.46 17.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.881 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -144.96 131.78 20.13 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.129 0.49 . . . . 25.0 110.03 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.57 118.78 18.65 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.195 -2.52 . . . . 25.0 104.195 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -135.3 148.39 49.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.52 172.52 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 5.7 mm-40 -118.05 160.18 21.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.959 -1.473 . . . . 25.0 109.093 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.79 151.64 41.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.315 0.646 . . . . 25.0 112.13 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 N-CA-C 103.816 -2.661 . . . . 25.0 103.816 174.395 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.211 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.66 152.31 69.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 116.949 -1.567 . . . . 25.0 111.599 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.1 ptm -138.96 142.59 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.24 147.4 28.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 174.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 155.76 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -74.73 153.96 38.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' HG11 ' A' ' 23' ' ' VAL . 19.5 m -65.5 -21.52 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.323 0.582 . . . . 50.0 109.523 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.3 -23.77 54.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.259 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.269 1.2 mp0 -52.45 134.74 34.53 Favored 'General case' 0 CA--C 1.428 -3.738 0 N-CA-C 118.446 2.758 . . . . 25.0 118.446 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -70.69 -24.18 62.62 Favored 'General case' 0 N--CA 1.403 -2.821 0 C-N-CA 116.686 -2.006 . . . . 25.0 111.897 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.77 -25.39 73.0 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.123 -1.191 . . . . 25.0 110.123 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.0 t -88.48 -47.01 15.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 117.44 0.62 . . . . 50.0 109.558 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -50.91 -46.02 60.59 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -25.37 68.15 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -36.5 20.32 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -62.1 2.02 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.32 -27.99 62.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.988 -170.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.33 -45.49 69.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.98 71.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.1 t -72.22 -39.7 64.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.117 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -61.77 -37.86 94.99 Favored Glycine 0 C--O 1.205 -1.682 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.0 tt0 -85.3 -28.0 25.57 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.429 1.109 . . . . 25.0 111.952 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -86.5 -63.01 1.38 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 123.856 1.789 . . . . 25.0 115.521 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -84.49 -51.61 6.78 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.216 -2.265 . . . . 25.0 112.682 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.53 -31.36 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.748 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.91 -32.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -77.27 152.07 34.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.832 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.67 53.73 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.616 0.722 . . . . 25.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -66.48 128.5 36.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.735 -0.666 . . . . 25.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.2 mtm -70.22 -19.45 63.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.631 -0.713 . . . . 25.0 110.774 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -116.78 164.67 14.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 177.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -109.38 137.31 47.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.17 160.01 41.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.446 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 102.24 1.63 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.5 -2.407 . . . . 25.0 104.5 170.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -48.1 56.67 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.958 0.885 . . . . 25.0 111.953 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -148.86 128.72 13.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.125 -1.398 . . . . 25.0 108.674 -171.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.78 131.09 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 t -91.91 -42.0 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 50.0 109.233 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -144.56 143.66 30.92 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.88 5.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 25.0 109.522 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -151.5 168.86 23.56 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.828 0.823 . . . . 25.0 113.204 -175.651 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 139.25 50.29 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.089 -1.414 . . . . 25.0 111.627 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -98.82 130.31 45.25 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.8 mt -98.94 138.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.765 -1.569 . . . . 25.0 106.765 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.05 -159.46 32.01 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 109.611 -1.395 . . . . 25.0 109.611 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.21 -1.21 16.82 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.835 0.826 . . . . 25.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -152.84 158.77 28.08 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 101.612 -4.595 . . . . 25.0 101.612 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.4 t -122.06 124.59 71.56 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 118.581 1.19 . . . . 50.0 109.025 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -110.61 124.0 51.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.099 0.476 . . . . 25.0 109.798 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -92.03 111.25 22.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 74.4 m-85 -98.54 117.01 32.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -128.5 114.31 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.493 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -109.28 138.64 45.32 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 123.219 1.485 . . . . 25.0 108.196 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -150.23 141.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 120.644 3.572 . . . . 50.0 120.644 -166.004 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -90.36 132.8 35.39 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.328 -1.76 . . . . 25.0 108.051 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.49 146.42 37.29 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.284 1.04 . . . . 25.0 111.064 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.94 158.16 29.44 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 105.527 -3.029 . . . . 25.0 105.527 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -87.71 128.5 35.3 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 105.045 -2.206 . . . . 25.0 105.045 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 p -92.51 149.98 21.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.384 0.611 . . . . 25.0 111.765 -175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 p -76.74 -12.94 60.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.706 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.76 144.86 28.34 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.766 0.793 . . . . 25.0 109.017 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.46 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 17.8 p -90.69 175.71 6.93 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -62.67 -17.96 61.52 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -110.49 -14.74 14.04 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 118.951 2.945 . . . . 25.0 118.951 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.46 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.4 mm100 -53.12 147.5 17.19 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 112.495 -2.139 . . . . 25.0 114.425 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -83.74 10.23 3.77 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.112 1.875 . . . . 25.0 116.199 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -127.14 35.36 4.59 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.0 -10.56 6.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 117.87 2.544 . . . . 25.0 117.87 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -42.26 13.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.71 1.141 . . . . 25.0 109.644 173.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -38.25 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.959 -1.019 . . . . 25.0 113.324 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -59.07 -60.1 11.65 Favored Pre-proline 0 C--O 1.215 -0.749 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.942 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 74.3 Cg_endo -66.26 -23.18 52.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 114.749 -3.034 . . . . 25.0 113.77 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.44 -50.44 73.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -84.71 -19.51 32.64 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 88.5 m-20 -69.69 -34.74 74.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.231 -0.918 . . . . 25.0 109.944 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -57.26 -58.12 20.16 Favored Pre-proline 0 N--CA 1.47 0.566 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -66.82 -25.86 45.34 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 114.536 -3.176 . . . . 25.0 114.647 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -82.47 4.57 23.76 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.76 91.89 3.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.868 -0.789 . . . . 25.0 108.868 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -14.02 54.54 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.628 -0.715 . . . . 25.0 110.832 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -138.18 133.46 33.32 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -105.51 138.49 41.62 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -119.8 135.39 54.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.404 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 40.2 p90 -124.0 140.08 53.33 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 177.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.88 160.14 32.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.993 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.4 m -129.78 122.25 28.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -115.71 135.46 54.02 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.75 109.24 10.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.6 mt -100.41 120.39 49.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.56 121.95 32.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.23 135.79 41.12 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.25 -2.5 . . . . 25.0 104.25 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -100.82 103.28 23.64 Favored Pre-proline 0 C--O 1.252 1.212 1 N-CA-C 96.215 -5.476 . . . . 50.0 96.215 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.16 -21.43 15.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 106.672 -8.418 . . . . 25.0 114.299 -169.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -62.27 -18.63 61.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.367 1.247 . . . . 25.0 114.367 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -121.75 -2.5 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.54 14.96 75.14 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-O 121.914 0.73 . . . . 25.0 111.844 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -102.52 167.21 10.08 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.901 0.88 . . . . 25.0 108.877 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.3 ptt? -148.34 157.5 43.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 170.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -143.61 139.94 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.295 0.638 . . . . 25.0 109.999 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.1 114.97 5.64 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -89.83 -31.33 17.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.306 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.1 140.66 24.5 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 p -143.44 110.61 5.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.709 -2.33 . . . . 25.0 104.709 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -127.11 147.65 50.17 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.718 -1.956 . . . . 25.0 105.718 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.75 169.22 20.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 9.3 mm100 -115.93 158.2 23.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.646 -1.161 . . . . 25.0 108.64 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.42 151.52 23.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . . . . . . 0 C--O 1.246 0.912 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.432 0 N-CA-C 109.686 -1.365 . . . . 25.0 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 85.8 Cg_endo -74.41 145.03 33.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 CA-C-N 119.186 1.493 . . . . 25.0 112.932 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ptm -148.65 155.57 41.23 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.12 143.85 26.89 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.66 158.3 25.77 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 107.496 -1.298 . . . . 25.0 107.496 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 155.93 39.52 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.0 m -67.85 -20.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.393 0.616 . . . . 50.0 109.81 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -70.77 -25.66 62.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.358 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.276 0.6 OUTLIER -55.21 137.45 47.15 Favored 'General case' 0 CA--C 1.448 -2.974 1 N-CA-C 122.34 4.2 . . . . 25.0 122.34 176.964 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.86 -34.44 74.6 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 112.475 -2.148 . . . . 25.0 112.206 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.73 77.74 Favored Glycine 0 C--O 1.222 -0.596 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.144 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.4 t -88.39 -54.55 7.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 CA-C-O 118.818 -0.61 . . . . 50.0 111.922 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtm105 -50.7 -44.87 58.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -28.7 68.4 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -35.49 21.1 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.4 mt -62.57 -58.93 5.78 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -66.04 -33.59 76.14 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -65.42 -47.96 74.43 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.8 79.21 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 31' ' ' VAL 0.264 1.1 t -77.22 -36.45 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 105.58 -2.007 . . . . 50.0 105.58 -174.347 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -64.21 -34.54 90.2 Favored Glycine 0 C--O 1.211 -1.308 0 N-CA-C 107.669 -2.172 . . . . 25.0 107.669 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 55.8 tt0 -85.67 -28.9 24.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 122.159 0.981 . . . . 25.0 112.02 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -87.47 -62.98 1.38 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 115.806 1.78 . . . . 25.0 115.806 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -83.98 -54.85 4.57 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 112.271 -2.24 . . . . 25.0 111.067 -170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.604 -178.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.01 -32.16 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.6 m -77.16 156.05 31.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.784 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -90.11 54.97 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.561 0.696 . . . . 25.0 109.497 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -66.42 131.77 46.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.566 0.698 . . . . 25.0 109.687 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.15 -15.03 62.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.59 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -123.98 163.79 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -81.41 112.46 18.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.7 m -117.53 144.11 45.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.439 -0.949 . . . . 25.0 108.439 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -146.45 161.53 40.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.581 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -73.99 102.18 4.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 100.296 -3.964 . . . . 25.0 100.296 165.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.06 -50.46 54.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 121.809 0.814 . . . . 25.0 110.447 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -143.63 121.67 12.12 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 113.872 -1.513 . . . . 25.0 109.736 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.98 126.57 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 106.209 -1.775 . . . . 50.0 106.209 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 t -84.61 -45.33 17.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 106.572 -1.64 . . . . 50.0 106.572 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -146.21 147.01 31.0 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.857 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.66 120.46 13.48 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.04 165.25 22.59 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 113.537 0.939 . . . . 25.0 113.537 -171.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 140.91 21.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.53 -1.668 . . . . 25.0 109.842 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.6 tm0? -98.75 129.39 45.18 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mt -100.19 139.66 21.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.15 -155.68 26.24 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 108.763 -1.735 . . . . 25.0 108.763 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -23.89 63.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.467 0.634 . . . . 25.0 109.358 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 163.29 17.43 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 104.144 -3.582 . . . . 25.0 104.144 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -128.15 129.85 69.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 CA-C-N 118.416 1.108 . . . . 50.0 108.42 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -127.12 117.0 21.53 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.111 -0.368 . . . . 25.0 110.284 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -91.78 137.93 31.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -122.29 132.37 54.38 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -127.44 131.36 50.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -121.54 130.23 53.4 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 123.483 1.611 . . . . 25.0 107.382 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.06 143.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 121.476 3.88 . . . . 50.0 121.476 -165.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -92.18 129.64 38.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.343 -1.753 . . . . 25.0 109.464 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 150.92 22.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.253 1.025 . . . . 25.0 111.505 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.63 -178.95 44.9 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 104.136 -3.586 . . . . 25.0 104.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -123.93 144.19 49.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.6 p -95.47 142.84 27.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.5 p -77.97 -21.29 51.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.146 0.498 . . . . 25.0 110.385 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.4 p -99.7 179.36 4.56 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.788 0.804 . . . . 25.0 111.549 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 p -117.2 169.28 9.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.889 -1.05 . . . . 25.0 111.577 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -60.46 -24.05 64.93 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 115.595 1.702 . . . . 25.0 115.595 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.277 0.8 OUTLIER -104.69 -14.87 15.44 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 118.07 2.619 . . . . 25.0 118.07 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.37 153.29 69.59 Favored Pre-proline 0 C--N 1.298 -1.648 0 CA-C-N 112.525 -2.125 . . . . 25.0 114.256 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.0 17.38 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 122.666 2.244 . . . . 25.0 117.6 -173.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -131.73 32.96 4.05 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.3 1.593 . . . . 25.0 115.3 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.64 -15.93 13.89 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 118.76 2.874 . . . . 25.0 118.76 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -42.22 10.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 119.983 1.265 . . . . 25.0 111.479 176.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -88.39 -34.5 17.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -172.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -55.67 38.5 Favored Pre-proline 0 C--N 1.321 -0.673 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.379 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.8 Cg_endo -68.57 -25.66 34.53 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 113.491 -3.872 . . . . 25.0 113.489 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.66 -38.62 81.96 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.103 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -83.18 -27.5 30.0 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 21.1 m-20 -68.89 -37.56 79.1 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.754 -0.591 . . . . 25.0 112.019 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -54.44 -57.23 19.61 Favored Pre-proline 0 C--N 1.323 -0.556 0 C-N-CA 119.277 -0.969 . . . . 25.0 111.876 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.36 -20.1 37.15 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 114.738 -3.042 . . . . 25.0 115.039 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 17.2 t-160 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.742 -0.599 . . . . 25.0 109.801 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 103.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.455 0.645 . . . . 25.0 111.409 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -32.38 60.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -87.53 134.68 33.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -116.38 110.03 18.13 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.13 141.18 28.88 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 103.72 -2.696 . . . . 25.0 103.72 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -122.46 139.5 53.8 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.15 157.04 46.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.234 -0.893 . . . . 25.0 111.612 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -129.74 128.69 42.97 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -121.42 137.4 54.73 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -130.26 122.44 28.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.78 118.09 57.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -90.29 126.11 35.73 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.79 135.91 45.28 Favored 'General case' 0 CA--C 1.49 -1.335 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.19 103.0 23.09 Favored Pre-proline 0 N--CA 1.436 -1.154 1 N-CA-C 94.809 -5.997 . . . . 50.0 94.809 -173.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.1 -24.91 12.21 Favored 'Trans proline' 0 N--CA 1.455 -0.742 1 C-N-CA 106.763 -8.358 . . . . 25.0 113.982 -169.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -62.19 -34.03 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.735 -1.12 . . . . 25.0 112.415 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -97.69 -3.39 39.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.656 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.38 24.14 75.01 Favored Glycine 0 N--CA 1.461 0.341 0 CA-C-O 122.303 0.946 . . . . 25.0 112.259 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.94 167.37 14.79 Favored 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 124.241 1.017 . . . . 25.0 108.966 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 26.2 ptt? -148.28 157.27 43.39 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 170.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.6 m -139.27 139.46 37.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.3 0.64 . . . . 25.0 110.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.27 112.88 3.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.395 0.617 . . . . 25.0 109.38 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -85.01 -25.77 27.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.502 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.69 145.75 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.764 0.316 . . . . 25.0 110.547 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.29 115.73 8.07 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -132.53 145.3 51.04 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 105.655 -1.979 . . . . 25.0 105.655 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.71 169.24 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -121.47 155.27 35.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.703 -1.962 . . . . 25.0 105.703 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.2 151.47 23.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.352 0 CA-C-O 117.353 -1.308 . . . . 25.0 108.112 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.407 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.89 142.39 35.0 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 113.776 -3.682 . . . . 25.0 110.897 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.28 147.23 30.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.52 142.68 29.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.03 158.64 26.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.82 155.64 38.59 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' HA ' HG11 ' A' ' 23' ' ' VAL . 16.0 m -66.14 -17.66 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.737 0.78 . . . . 50.0 110.588 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.96 -23.04 48.6 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.51 -1.223 . . . . 25.0 111.649 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 144.55 25.25 Favored 'General case' 0 CA--C 1.455 -2.704 0 N-CA-C 121.397 3.851 . . . . 25.0 121.397 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -61.22 -37.73 84.08 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 113.082 -1.872 . . . . 25.0 110.776 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.23 -22.86 78.54 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 114.379 -1.282 . . . . 25.0 112.187 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 18' ' ' VAL . 91.1 t -87.41 -50.01 14.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 CA-C-N 118.01 0.905 . . . . 50.0 110.715 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -50.93 -43.47 60.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.845 1.202 . . . . 25.0 113.522 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -25.75 68.23 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.23 -37.51 20.0 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.61 -62.58 1.63 Allowed 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.96 -32.07 72.24 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 123.846 0.716 . . . . 25.0 109.71 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.46 -47.99 71.35 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.2 79.58 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.288 1.2 t -72.8 -39.12 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.141 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.35 -37.08 94.28 Favored Glycine 0 N--CA 1.437 -1.282 0 N-CA-C 107.971 -2.052 . . . . 25.0 107.971 -175.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 8.9 tt0 -85.19 -28.4 25.47 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.266 1.032 . . . . 25.0 112.032 -176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -87.01 -62.77 1.43 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -83.94 -52.01 6.69 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 112.869 -1.968 . . . . 25.0 112.037 -171.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -70.99 -30.73 67.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 25.0 109.641 -178.345 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.6 -31.98 65.6 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 t -79.49 159.45 26.94 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.032 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -99.87 55.43 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.42 0.629 . . . . 25.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -64.79 130.08 42.18 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.5 mmt -68.09 -23.98 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.716 -0.675 . . . . 25.0 110.646 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -106.59 160.74 15.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.43 112.34 20.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.908 -1.515 . . . . 25.0 106.908 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -130.02 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -159.59 170.76 20.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.857 -1.535 . . . . 25.0 106.857 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -65.49 102.43 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.685 -2.339 . . . . 25.0 104.685 171.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.57 -45.73 29.24 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-O 122.055 0.931 . . . . 25.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -143.09 122.03 12.76 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 113.821 -1.536 . . . . 25.0 108.719 -171.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.32 128.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.388 -1.338 . . . . 50.0 107.388 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -85.28 -44.74 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -143.28 139.61 30.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.107 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.24 114.98 13.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 105.631 -1.989 . . . . 25.0 105.631 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.45 162.15 41.59 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 121.842 0.829 . . . . 25.0 111.052 -174.626 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 149.18 34.93 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.572 -1.195 . . . . 25.0 113.046 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.5 140.65 32.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.77 138.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.12 0.486 . . . . 25.0 112.01 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.95 -155.44 26.23 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 121.011 -0.614 . . . . 25.0 111.569 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 8.32 4.22 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.166 0.984 . . . . 25.0 109.732 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.64 135.82 5.35 Favored Glycine 0 N--CA 1.442 -0.911 1 N-CA-C 99.843 -5.303 . . . . 25.0 99.843 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.63 138.76 53.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 105.169 -2.16 . . . . 50.0 105.169 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.17 117.67 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -91.72 111.28 22.73 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.481 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 88.2 m-85 -98.45 116.39 30.57 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -124.25 116.76 23.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -114.48 137.36 51.95 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-O 123.914 1.816 . . . . 25.0 110.042 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.11 146.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 109.937 -3.302 . . . . 50.0 118.548 -166.425 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -107.69 127.55 53.77 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 105.681 -1.97 . . . . 25.0 105.681 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.17 158.87 15.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.24 1.019 . . . . 25.0 113.413 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.03 171.74 44.35 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 105.345 -3.102 . . . . 25.0 105.345 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -127.89 146.74 50.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 p -112.26 145.61 39.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.2 p -77.09 -19.44 57.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.822 1.415 . . . . 25.0 114.822 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -122.51 169.28 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 115.169 1.544 . . . . 25.0 115.169 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.521 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 3.2 p -104.93 171.41 7.33 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.083 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -64.42 -15.0 59.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 115.371 1.619 . . . . 25.0 115.371 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -15.09 14.18 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 118.405 2.743 . . . . 25.0 118.405 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG3' ' H ' ' A' ' 74' ' ' THR . 19.5 mm-40 -53.1 150.7 10.24 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 112.226 -2.261 . . . . 25.0 112.353 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.6 0.64 7.87 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 121.624 1.549 . . . . 25.0 116.12 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.13 47.7 2.38 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.38 -13.94 53.74 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.616 1.709 . . . . 25.0 115.616 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.35 -41.86 13.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.251 1.024 . . . . 25.0 109.235 176.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.42 -37.94 24.76 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 115.558 1.688 . . . . 25.0 115.558 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.8 m -63.15 -55.64 35.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 C-N-CA 119.438 -0.905 . . . . 25.0 111.046 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 60.0 Cg_endo -66.41 -26.55 47.84 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 113.899 -3.601 . . . . 25.0 113.685 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.3 -40.37 90.23 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 118.011 0.369 . . . . 25.0 110.935 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -84.54 -27.86 27.05 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 81.7 m-20 -68.1 -46.14 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.072 -0.392 . . . . 25.0 110.752 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.81 -50.9 84.49 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.61 -18.82 42.69 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 114.592 -3.138 . . . . 25.0 114.402 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.52 -35.43 53.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.198 0.523 . . . . 25.0 110.691 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 87.8 2.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.767 0.794 . . . . 25.0 111.429 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -124.84 7.19 8.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.627 -0.715 . . . . 25.0 112.267 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.94 121.15 25.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.04 109.79 16.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.13 118.03 19.92 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -116.69 139.46 50.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.5 m -110.61 151.56 27.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.681 -1.6 . . . . 25.0 110.869 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.1 m -129.9 113.04 14.14 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -106.72 135.48 48.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -128.51 109.97 11.86 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 mt -103.53 117.39 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -90.19 121.04 31.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.1 135.64 41.22 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.19 103.33 34.01 Favored Pre-proline 0 N--CA 1.436 -1.16 1 N-CA-C 95.859 -5.608 . . . . 50.0 95.859 -172.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.47 -21.4 15.04 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 106.871 -8.286 . . . . 25.0 113.62 -172.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -15.6 57.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -123.45 -2.64 8.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.544 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.58 16.97 76.11 Favored Glycine 0 N--CA 1.461 0.343 0 CA-C-O 122.007 0.782 . . . . 25.0 111.937 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -111.21 167.49 10.24 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 123.676 0.79 . . . . 25.0 109.184 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' MET . . . . . 0.466 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.35 157.53 43.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 169.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 m -143.7 138.19 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.071 0.548 . . . . 25.0 110.291 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 115' ' ' SER . 25.9 tp -65.44 114.03 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -86.88 -28.85 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.194 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -153.7 141.18 19.78 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.63 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.462 ' HB3' HD21 ' A' ' 112' ' ' LEU . 20.0 p -140.11 120.85 14.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.842 -2.281 . . . . 25.0 104.842 170.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -137.08 149.52 47.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 104.76 -2.311 . . . . 25.0 104.76 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 5.3 m -153.14 169.47 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.473 0.483 . . . . 25.0 111.534 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -128.01 148.68 50.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.09 151.5 25.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.86 -1.067 . . . . 25.0 110.078 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 110.501 -0.185 . . . . 25.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -75.17 158.77 83.72 Favored Pre-proline 0 C--O 1.24 0.579 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.98 172.7 14.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 N-CA-C 109.232 -1.103 . . . . 25.0 109.232 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.25 -161.66 26.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.82 -1.181 . . . . 25.0 114.488 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.22 163.85 48.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 123.775 0.83 . . . . 25.0 109.729 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.91 138.31 52.34 Favored 'Trans proline' 0 CA--C 1.54 0.824 1 C-N-CA 112.151 -4.766 . . . . 25.0 108.896 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.0 152.16 67.95 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 117.159 -1.427 . . . . 25.0 112.431 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.33 121.3 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt -131.07 147.32 52.61 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 175.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -136.75 -71.37 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 113.277 -1.783 . . . . 50.0 109.991 -169.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.81 149.93 5.64 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 109.071 -1.612 . . . . 25.0 109.071 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.68 -168.47 35.76 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.745 -0.942 . . . . 25.0 110.745 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -77.11 139.69 19.28 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.44 -2.573 . . . . 25.0 111.884 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 ptm -148.98 147.52 28.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 143.25 31.42 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 151.4 40.5 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 m -74.04 160.0 31.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.531 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.85 -16.1 20.5 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.02 -28.7 62.5 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.431 0.692 . . . . 25.0 110.902 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.316 4.8 mp0 -54.43 123.83 14.19 Favored 'General case' 0 CA--C 1.438 -3.327 1 N-CA-C 121.849 4.018 . . . . 25.0 121.849 169.429 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.8 pm0 -64.63 -27.84 69.21 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 112.315 -2.22 . . . . 25.0 110.96 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.07 -27.98 73.63 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 110.573 -1.011 . . . . 25.0 110.573 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.45 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -54.2 -37.78 64.91 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.777 0.831 . . . . 25.0 112.654 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -29.19 69.38 Favored 'General case' 0 C--O 1.207 -1.177 0 C-N-CA 119.744 -0.783 . . . . 25.0 112.751 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -32.59 22.07 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.26 -55.66 23.01 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.68 -36.89 83.6 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.72 -45.87 90.72 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.53 77.15 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.633 0.975 . . . . 25.0 113.633 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 31' ' ' VAL 0.276 1.1 t -72.54 -40.1 62.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.171 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -174.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.74 -37.25 94.52 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.6 tt0 -85.3 -28.24 25.41 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.59 1.186 . . . . 25.0 112.016 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -86.86 -63.04 1.37 Allowed 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -84.11 -53.58 5.43 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 112.461 -2.154 . . . . 25.0 111.697 -171.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.63 -30.28 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.369 -178.631 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.71 -32.11 65.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -77.38 159.52 29.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.3 139.53 58.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -76.88 101.29 5.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.8 mmm -96.6 -45.91 6.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -142.06 136.8 30.54 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 100.599 -3.852 . . . . 25.0 100.599 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.54 126.46 27.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -142.22 143.58 32.97 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -146.47 159.72 43.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.832 -1.174 . . . . 25.0 107.832 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.34 103.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 101.739 -3.43 . . . . 25.0 101.739 168.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.95 -49.85 41.03 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 122.061 0.934 . . . . 25.0 109.02 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -148.66 127.34 12.49 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 113.514 -1.675 . . . . 25.0 109.384 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.66 130.06 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.75 -40.3 11.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.178 -0.919 . . . . 50.0 109.161 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -141.67 142.85 33.36 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.56 104.87 4.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -141.75 168.56 19.46 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-O 121.579 0.704 . . . . 25.0 110.88 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 152.95 35.53 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.831 -1.077 . . . . 25.0 111.071 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' A' ' 61' ' ' ASN . 33.5 tt0 -98.95 130.3 45.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.94 127.74 67.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.8 -158.63 31.56 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 109.348 -1.501 . . . . 25.0 109.348 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -22.65 67.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.215 0.508 . . . . 25.0 110.945 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.48 137.79 10.52 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 104.45 -3.46 . . . . 25.0 104.45 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.83 113.86 43.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 CA-C-N 118.134 0.967 . . . . 50.0 108.486 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 4.5 m120 -112.2 118.1 34.38 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -91.72 133.29 35.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 91.6 m-85 -123.18 115.01 21.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.54 129.96 52.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -119.79 138.77 53.15 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 123.683 1.706 . . . . 25.0 107.878 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 140.93 22.69 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.474 0 CA-C-N 109.851 -3.341 . . . . 50.0 119.525 -167.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.41 123.08 36.46 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.44 159.63 14.88 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.15 161.47 35.3 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.308 -1.117 . . . . 25.0 110.308 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.43 126.24 30.58 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 100.912 -3.736 . . . . 25.0 100.912 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 p -88.62 142.97 27.25 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 119.636 -0.826 . . . . 25.0 111.123 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 p -72.14 -17.12 61.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.429 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.1 m -125.27 172.35 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.548 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.7 p -111.93 175.0 5.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.02 0.914 . . . . 25.0 111.067 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.641 1.719 . . . . 25.0 115.641 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.274 0.8 OUTLIER -106.77 -14.18 15.06 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 117.037 2.236 . . . . 25.0 117.037 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.548 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.0 mm100 -69.3 153.48 95.86 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 111.884 -2.417 . . . . 25.0 111.758 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.48 177.98 8.13 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 121.779 1.652 . . . . 25.0 113.032 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 60.96 40.29 15.57 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.18 -10.4 1.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 117.104 2.261 . . . . 25.0 117.104 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.33 -41.82 17.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.408 1.099 . . . . 25.0 110.139 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -83.42 -37.42 23.25 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 114.206 1.188 . . . . 25.0 114.206 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.62 -53.88 61.03 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.995 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.35 -24.4 37.2 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 115.642 -2.438 . . . . 25.0 114.021 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.25 -39.57 83.25 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -81.69 -19.63 41.19 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.63 -37.39 70.89 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.797 -0.564 . . . . 25.0 111.1 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.33 -56.59 20.93 Favored Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -69.22 -14.86 38.53 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 115.117 -2.789 . . . . 25.0 114.02 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.16 -16.55 54.64 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.024 -0.422 . . . . 25.0 111.199 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.63 90.69 0.4 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.036 0.446 . . . . 25.0 111.32 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.52 -32.3 71.05 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -115.59 123.83 49.43 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 100.885 -3.746 . . . . 25.0 100.885 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -86.79 109.8 19.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 128.57 34.69 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.78 -1.193 . . . . 25.0 107.78 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -122.84 141.31 52.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.142 0.972 . . . . 25.0 109.466 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.34 157.09 42.87 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.08 -1.418 . . . . 25.0 110.309 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -129.67 125.74 36.7 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 107.688 -1.226 . . . . 25.0 107.688 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -119.26 132.8 55.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -126.64 121.58 32.55 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.46 120.65 63.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -91.55 120.92 32.78 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.77 134.78 42.17 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 104.213 -2.514 . . . . 25.0 104.213 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.2 t -101.63 103.08 25.61 Favored Pre-proline 0 N--CA 1.432 -1.359 1 N-CA-C 95.926 -5.583 . . . . 50.0 95.926 -172.347 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.0 -21.6 15.68 Favored 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 106.841 -8.306 . . . . 25.0 114.65 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -61.13 -20.74 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.058 -0.974 . . . . 25.0 113.506 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.71 -3.4 10.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.116 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.17 14.78 74.13 Favored Glycine 0 N--CA 1.46 0.273 0 CA-C-O 121.664 0.591 . . . . 25.0 112.01 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -103.91 167.32 9.85 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 123.66 0.784 . . . . 25.0 109.091 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.6 ptt? -148.29 157.66 43.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.5 m -142.61 140.01 31.52 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.145 0.578 . . . . 25.0 110.027 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.5 113.48 4.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.64 0.733 . . . . 25.0 109.412 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -83.45 -34.18 25.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 25.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.42 141.52 22.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 25.0 111.795 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 116.89 12.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -133.3 147.15 51.87 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.61 170.24 19.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -173.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -124.77 159.73 30.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.509 -1.223 . . . . 25.0 109.061 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.32 151.39 23.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.71 0.404 . . . . 25.0 111.497 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 117.113 -1.423 . . . . 25.0 111.092 -178.297 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 110.429 -0.212 . . . . 25.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -79.73 146.72 65.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.1 172.75 14.12 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 117.935 -0.91 . . . . 25.0 112.68 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.97 151.92 37.09 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -156.17 152.52 23.58 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.39 166.22 29.17 Favored 'Trans proline' 0 C--O 1.242 0.703 0 O-C-N 122.379 0.673 . . . . 25.0 110.931 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.65 158.54 53.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 117.1 -1.466 . . . . 25.0 111.488 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.41 110.29 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -86.11 148.72 25.56 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.624 0.725 . . . . 25.0 110.771 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.08 31.51 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 106.155 -1.794 . . . . 50.0 106.155 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -132.33 11.22 Favored Glycine 0 C--O 1.228 -0.27 0 N-CA-C 106.707 -2.557 . . . . 25.0 106.707 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.18 -58.18 15.85 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.74 148.4 58.64 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.928 -2.915 . . . . 25.0 111.081 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.6 ptp -148.75 149.08 30.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.787 0.291 . . . . 25.0 111.787 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.43 128.62 38.34 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.087 -3.672 . . . . 25.0 101.087 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.43 160.16 20.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.69 156.21 32.73 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.473 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.0 m -69.03 -19.7 24.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -74.22 -24.04 59.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.398 -1.273 . . . . 25.0 111.425 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.28 0.8 OUTLIER -53.99 136.11 41.79 Favored 'General case' 0 CA--C 1.44 -3.271 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.02 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.26 -32.6 74.05 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 113.367 -1.742 . . . . 25.0 112.044 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.99 74.59 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.176 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.3 t -88.02 -50.92 13.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 117.601 0.7 . . . . 50.0 111.754 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -50.12 -47.02 54.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.995 0.518 . . . . 25.0 112.223 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -28.49 69.54 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.6 24.05 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.21 -54.85 23.21 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.21 -35.85 80.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 123.615 0.572 . . . . 25.0 109.498 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -61.4 -46.41 90.28 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.68 82.79 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.265 1.1 t -74.71 -38.86 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.28 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 -173.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.51 -36.78 93.66 Favored Glycine 0 C--O 1.207 -1.584 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.2 tt0 -85.47 -27.99 25.32 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.416 1.103 . . . . 25.0 111.541 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -86.81 -63.56 1.29 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -83.5 -52.56 6.38 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 112.404 -2.18 . . . . 25.0 112.266 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -71.04 -30.18 66.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.248 -178.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.95 -32.08 66.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -77.74 158.04 29.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.446 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -93.7 55.45 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.383 0.611 . . . . 25.0 111.214 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -66.2 130.84 44.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.636 0.731 . . . . 25.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.45 -25.48 63.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.029 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.41 162.43 13.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -88.53 112.4 22.96 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -121.1 143.54 49.03 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -151.35 168.98 23.12 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.54 103.43 2.49 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 102.289 -3.226 . . . . 25.0 102.289 171.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.63 -45.08 84.44 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-O 121.397 0.618 . . . . 25.0 110.754 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -161.68 136.67 7.3 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.14 -1.391 . . . . 25.0 108.212 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.678 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.95 136.87 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.522 0.677 . . . . 50.0 110.185 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.53 -44.09 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.02 140.18 34.26 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.11 118.3 12.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.55 166.25 32.61 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.77 28.12 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.711 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -104.1 135.82 44.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.69 134.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.04 -145.86 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 105.423 -3.071 . . . . 25.0 105.423 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.53 -24.8 66.87 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.178 0.989 . . . . 25.0 110.056 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.79 162.2 21.69 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 105.296 -3.122 . . . . 25.0 105.296 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -119.18 130.81 73.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -132.96 117.03 17.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.884 0.373 . . . . 25.0 110.539 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.88 136.78 32.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.454 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 90.3 m-85 -123.4 113.34 18.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -121.07 119.77 33.42 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -114.24 135.22 54.3 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 123.193 1.473 . . . . 25.0 107.194 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -142.59 144.16 24.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 121.267 3.803 . . . . 50.0 121.267 -163.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -93.71 131.33 39.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.766 -1.561 . . . . 25.0 108.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.38 159.4 15.02 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.73 160.45 25.33 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 106.146 -2.782 . . . . 25.0 106.146 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -102.89 148.73 25.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.5 p -88.85 143.53 26.83 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -70.35 -19.52 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 25.0 111.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.9 m -121.58 171.73 8.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.548 . . . . 25.0 110.614 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 4.4 p -104.97 174.06 6.04 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 122.011 0.91 . . . . 25.0 111.433 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -61.85 -21.95 65.1 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.257 0.7 OUTLIER -105.78 -14.77 15.14 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 118.414 2.746 . . . . 25.0 118.414 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 74' ' ' THR . 32.2 mm-40 -55.51 153.39 14.88 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 112.591 -2.095 . . . . 25.0 113.387 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.98 -18.46 65.27 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 N-CA-C 119.323 2.778 . . . . 25.0 119.323 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -131.54 64.47 1.59 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.78 -10.48 20.14 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -42.27 13.4 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.521 1.153 . . . . 25.0 110.335 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -86.43 -34.32 20.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 -171.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.05 -55.41 37.58 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 119.519 -0.873 . . . . 25.0 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.25 -24.77 43.51 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 114.908 -2.928 . . . . 25.0 114.373 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.2 -43.14 92.23 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.05 -26.42 33.75 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.36 -52.34 66.04 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.906 -0.496 . . . . 25.0 111.308 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -56.49 24.14 Favored Pre-proline 0 CA--C 1.508 -0.646 0 C-N-CA 119.159 -1.016 . . . . 25.0 113.722 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.18 -26.59 36.06 Favored 'Trans proline' 0 N--CA 1.452 -0.933 1 C-N-CA 111.623 -5.118 . . . . 25.0 115.967 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -73.87 -25.64 60.14 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.959 -0.463 . . . . 25.0 112.187 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.66 83.41 1.58 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -34.84 77.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.77 133.32 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -124.53 144.55 50.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.73 152.63 45.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.116 -2.179 . . . . 25.0 105.116 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -124.24 139.78 53.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.405 1.097 . . . . 25.0 113.733 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.73 160.12 23.17 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.249 -1.341 . . . . 25.0 111.04 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -129.88 117.42 20.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.839 -1.541 . . . . 25.0 106.839 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -113.35 134.04 54.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 38.8 tt0 -129.17 117.55 20.97 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.11 119.07 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -91.54 125.82 36.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.798 -1.926 . . . . 25.0 105.798 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.57 133.85 46.88 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.58 103.01 24.91 Favored Pre-proline 0 N--CA 1.433 -1.278 1 N-CA-C 96.473 -5.38 . . . . 50.0 96.473 -171.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.13 -23.56 13.46 Favored 'Trans proline' 0 N--CA 1.452 -0.915 1 C-N-CA 106.537 -8.508 . . . . 25.0 114.959 -167.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.31 -30.25 68.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.127 -0.942 . . . . 25.0 113.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -106.73 -4.85 18.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.57 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.1 17.89 77.52 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-O 121.931 0.74 . . . . 25.0 111.609 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -108.99 167.43 10.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.9 ptp -148.28 157.54 43.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 169.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -145.17 141.98 29.2 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.871 0.468 . . . . 25.0 110.385 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.06 110.72 3.06 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.883 0.849 . . . . 25.0 109.395 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 42.8 t -84.81 -26.58 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.098 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 3.5 ttmt -150.06 135.62 18.28 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.69 108.22 6.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -127.46 147.03 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.599 -2.0 . . . . 25.0 105.599 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 m -148.35 173.4 13.09 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.34 152.29 51.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.03 -2.582 . . . . 25.0 104.03 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.7 151.55 23.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.13 0.49 . . . . 25.0 111.87 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 116.59 -1.672 . . . . 25.0 107.368 -179.805 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p 38.6 69.51 1.54 Allowed Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 115.786 1.772 . . . . 25.0 115.786 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 -11.61 26.34 Favored 'Trans proline' 0 C--N 1.349 0.566 0 N-CA-C 116.463 1.678 . . . . 25.0 116.463 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.66 -166.26 34.19 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.014 -1.088 . . . . 25.0 111.57 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -141.51 60.52 11.88 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.2 161.6 35.02 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 118.086 -0.809 . . . . 25.0 112.941 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.51 166.65 28.93 Favored 'Trans proline' 0 C--N 1.35 0.619 0 N-CA-C 109.91 -0.842 . . . . 25.0 109.91 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -149.52 112.08 4.75 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.952 -0.467 . . . . 25.0 111.95 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.556 ' HG ' ' H ' ' A' ' 15' ' ' ASP . 5.1 mp -129.91 65.4 1.5 Allowed 'General case' 0 CA--C 1.453 -2.781 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 172.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.84 122.31 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.417 -2.09 0 CA-C-N 113.263 -1.789 . . . . 50.0 110.112 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.12 -146.4 29.25 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.15 -1.18 . . . . 25.0 110.15 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.93 -57.59 18.21 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-O 118.939 -0.923 . . . . 25.0 114.318 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 90.1 Cg_endo -79.2 140.07 15.33 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 115.534 -2.511 . . . . 25.0 115.372 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' LEU . 27.9 ptm -145.75 146.91 31.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.721 -1.127 . . . . 25.0 108.859 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.556 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 66.6 m-20 -85.1 145.74 27.5 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.02 156.76 35.89 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.08 158.21 33.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' HA ' HG11 ' A' ' 23' ' ' VAL . 12.4 m -69.58 -16.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -70.85 -29.24 65.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.805 -1.089 . . . . 25.0 111.19 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.281 0.8 OUTLIER -56.06 141.86 38.56 Favored 'General case' 0 CA--C 1.457 -2.598 1 N-CA-C 122.08 4.104 . . . . 25.0 122.08 179.462 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.25 -41.87 80.44 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 112.503 -2.135 . . . . 25.0 111.946 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.08 -25.69 74.34 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.182 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 18' ' ' VAL . 73.4 t -86.35 -48.88 15.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 CA-C-N 117.813 0.807 . . . . 50.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -53.0 -40.91 64.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.133 0.879 . . . . 25.0 112.728 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -27.53 65.26 Favored 'General case' 0 C--O 1.206 -1.218 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -28.5 25.37 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.25 -62.66 1.61 Allowed 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -70.36 -32.89 70.77 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 123.517 0.511 . . . . 25.0 111.226 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.58 -49.21 78.44 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.35 82.98 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 114.595 1.332 . . . . 25.0 114.595 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.275 1.1 t -74.72 -36.39 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.19 0 N-CA-C 106.934 -1.506 . . . . 50.0 106.934 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.55 92.2 Favored Glycine 0 C--O 1.207 -1.553 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 80.7 tt0 -85.82 -28.19 24.63 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 122.177 0.989 . . . . 25.0 111.766 -176.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.88 -62.97 1.39 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 116.448 2.018 . . . . 25.0 116.448 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -84.23 -52.14 6.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.254 -2.248 . . . . 25.0 112.143 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.84 -31.56 68.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.96 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.54 -31.81 67.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -75.24 152.54 38.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.522 -0.763 . . . . 25.0 109.719 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -85.67 55.54 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 25.0 110.201 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.59 127.61 33.66 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.003 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mmt -67.25 -21.67 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -136.33 161.89 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -65.72 133.88 51.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.757 0.313 . . . . 25.0 111.15 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -143.13 149.11 37.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -154.94 167.31 30.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.42 104.76 2.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 102.419 -3.178 . . . . 25.0 102.419 167.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.83 -47.96 64.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.616 0.722 . . . . 25.0 111.425 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -154.94 138.04 15.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.45 -1.25 . . . . 25.0 107.64 -171.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.67 129.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.429 0.633 . . . . 50.0 109.4 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.3 t -86.0 -43.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -145.19 140.82 28.19 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.41 114.2 12.66 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 104.916 -2.254 . . . . 25.0 104.916 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.64 168.33 25.97 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 121.45 0.643 . . . . 25.0 109.926 -176.585 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.79 164.45 35.27 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.026 -0.988 . . . . 25.0 109.479 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 30.2 tt0 -134.58 120.74 19.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.79 137.82 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.79 -159.53 23.81 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 107.711 -2.156 . . . . 25.0 107.711 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.87 69.0 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.871 0.836 . . . . 25.0 109.155 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.47 148.7 16.98 Favored Glycine 0 N--CA 1.448 -0.543 1 N-CA-C 101.896 -4.482 . . . . 25.0 101.896 172.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.2 t -119.94 131.64 71.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -125.01 124.76 42.66 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.014 -0.428 . . . . 25.0 110.627 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.07 134.24 45.62 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 39.7 m-85 -123.41 114.79 20.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.548 -1.649 . . . . 25.0 106.548 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 117.01 24.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.78 136.21 53.1 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 122.922 1.344 . . . . 25.0 108.812 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -147.74 143.24 19.66 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.183 1 N-CA-C 121.931 4.048 . . . . 50.0 121.931 -163.06 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.46 134.38 34.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.182 -1.372 . . . . 25.0 108.973 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.8 mp -110.85 138.09 47.68 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.57 153.51 24.82 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 107.155 -2.378 . . . . 25.0 107.155 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -79.58 132.93 36.41 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 102.199 -3.259 . . . . 25.0 102.199 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -88.83 142.9 27.27 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.428 -0.909 . . . . 25.0 110.263 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -74.03 -15.85 61.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.398 0.618 . . . . 25.0 109.708 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.91 163.89 12.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.261 1.029 . . . . 25.0 111.179 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.404 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 18.9 p -109.11 173.34 6.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.86 -22.44 64.26 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.34 -15.02 15.56 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 119.464 3.135 . . . . 25.0 119.464 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 74' ' ' THR . 16.3 mm-40 -55.35 147.13 38.82 Favored Pre-proline 0 C--N 1.296 -1.754 0 CA-C-N 112.413 -2.176 . . . . 25.0 114.374 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.08 -16.49 14.07 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.239 1.292 . . . . 25.0 115.268 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.74 33.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.34 -11.19 13.99 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.66 2.096 . . . . 25.0 116.66 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.99 -42.12 14.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.737 1.256 . . . . 25.0 109.319 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.18 -36.17 27.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -173.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.66 -57.44 26.46 Favored Pre-proline 0 C--O 1.215 -0.728 0 C-N-CA 120.337 -0.545 . . . . 25.0 111.307 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.11 -25.68 43.51 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 114.351 -3.299 . . . . 25.0 114.008 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -61.86 -35.02 77.07 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.83 -37.16 35.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.229 0.538 . . . . 25.0 111.989 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.77 -38.74 80.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -58.1 -55.26 47.16 Favored Pre-proline 0 N--CA 1.472 0.672 0 N-CA-C 113.075 0.769 . . . . 25.0 113.075 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.65 -13.06 36.32 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 113.425 -3.917 . . . . 25.0 113.737 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -79.05 -6.91 57.53 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.802 -0.561 . . . . 25.0 110.65 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.88 68.69 0.9 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 122.179 0.99 . . . . 25.0 111.316 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -85.72 14.71 5.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.693 0.759 . . . . 25.0 110.032 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -138.1 150.15 46.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 101.5 -3.519 . . . . 25.0 101.5 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 134.07 35.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 118.839 -0.601 . . . . 25.0 109.471 -167.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.55 113.33 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.657 -1.217 . . . . 25.0 112.618 160.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -124.57 139.6 53.72 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 106.979 -1.489 . . . . 25.0 106.979 165.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 68' ' ' LEU . 75.3 m -120.09 158.36 27.03 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 123.725 0.81 . . . . 25.0 110.286 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -129.83 112.56 13.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.43 -0.805 . . . . 25.0 108.939 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -104.93 126.91 52.5 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -127.04 110.99 13.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.8 mt -102.37 129.86 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -98.76 125.01 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.53 134.93 46.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.66 103.37 27.66 Favored Pre-proline 0 N--CA 1.433 -1.28 1 N-CA-C 95.813 -5.625 . . . . 50.0 95.813 -171.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.08 -25.57 11.61 Favored 'Trans proline' 0 N--CA 1.454 -0.795 1 C-N-CA 106.319 -8.654 . . . . 25.0 114.112 -170.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -60.93 -30.2 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.745 -1.116 . . . . 25.0 112.351 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -103.54 -1.67 27.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.675 -0.693 . . . . 25.0 112.322 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.1 30.01 76.82 Favored Glycine 0 N--CA 1.467 0.736 0 CA-C-O 122.527 1.071 . . . . 25.0 112.219 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.05 167.41 19.76 Favored 'General case' 0 CA--C 1.498 -1.056 0 C-N-CA 124.205 1.002 . . . . 25.0 108.743 -174.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.453 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.1 ptp -148.2 157.55 43.56 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 171.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -144.62 141.62 29.53 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 123.192 0.597 . . . . 25.0 109.409 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.42 115.61 5.86 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -83.93 -34.19 24.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.903 -0.589 . . . . 25.0 109.79 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -151.28 138.33 19.15 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.43 47.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 102.917 -2.994 . . . . 25.0 102.917 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.8 t -145.92 156.56 43.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 105.947 -1.871 . . . . 25.0 105.947 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 10.3 m -146.68 177.81 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.446 0.466 . . . . 25.0 112.135 -174.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -106.62 150.02 26.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.9 138.37 35.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.099 -1.075 . . . . 25.0 108.099 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.219 -0.896 . . . . 25.0 112.827 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 119.024 -0.512 . . . . 25.0 110.068 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -147.8 135.91 11.01 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.4 -169.29 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.214 1.943 . . . . 25.0 112.635 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.29 -9.26 67.66 Favored Glycine 0 C--O 1.225 -0.425 0 N-CA-C 114.836 0.694 . . . . 25.0 114.836 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -80.59 145.52 58.87 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.18 159.03 55.46 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 117.973 -0.884 . . . . 25.0 111.474 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -67.08 115.16 3.49 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 118.026 -0.849 . . . . 25.0 113.585 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -154.95 148.07 24.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.527 -2.398 . . . . 25.0 104.527 178.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.96 -19.95 65.01 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t 69.03 -37.74 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.76 -175.58 14.07 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 107.035 -2.426 . . . . 25.0 107.035 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.81 178.11 42.33 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 109.276 -1.53 . . . . 25.0 109.276 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -65.17 151.51 85.25 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 119.208 1.504 . . . . 25.0 114.182 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -149.01 147.83 29.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.13 150.27 23.44 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 173.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.4 155.83 36.62 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -74.43 155.2 38.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -69.64 -17.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.771 -1.196 . . . . 50.0 107.771 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -74.24 -24.4 59.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.719 -1.128 . . . . 25.0 111.174 175.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 1.0 OUTLIER -57.86 131.68 51.09 Favored 'General case' 0 CA--C 1.435 -3.462 0 N-CA-C 120.629 3.566 . . . . 25.0 120.629 172.543 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.98 -33.34 75.19 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 113.681 -1.6 . . . . 25.0 112.209 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.95 -27.62 69.0 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.989 -0.845 . . . . 25.0 110.989 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.23 -51.96 12.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-O 119.1 -0.476 . . . . 50.0 111.208 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -49.35 -47.24 47.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.404 0.681 . . . . 25.0 112.764 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -29.54 70.82 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.51 24.29 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.32 -60.06 4.11 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.56 -31.46 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.379 0.424 . . . . 25.0 110.517 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.36 -49.7 75.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.61 74.51 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.711 1.374 . . . . 25.0 114.711 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 31' ' ' VAL 0.274 1.2 t -76.09 -35.71 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -175.551 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.86 -34.1 89.03 Favored Glycine 0 C--O 1.211 -1.329 0 N-CA-C 106.982 -2.447 . . . . 25.0 106.982 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -85.31 -31.08 23.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.85 0.833 . . . . 25.0 112.274 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -87.67 -62.95 1.38 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -84.32 -51.86 6.66 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 111.743 -2.48 . . . . 25.0 111.879 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.829 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.09 70.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -77.52 157.92 30.15 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.393 -0.822 . . . . 25.0 109.563 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -93.64 57.34 2.53 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.543 0.687 . . . . 25.0 111.14 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.25 132.1 48.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.501 0.667 . . . . 25.0 110.15 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.9 mtm -67.59 -20.61 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.821 . . . . 25.0 112.184 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.72 161.84 19.43 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -78.17 112.5 15.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 m -124.18 139.68 53.69 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.24 171.08 20.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.856 -0.338 . . . . 25.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -67.74 102.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -45.15 72.96 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.423 0.63 . . . . 25.0 112.55 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -153.13 131.13 11.79 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.496 -1.229 . . . . 25.0 108.386 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.96 130.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -86.33 -43.91 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -144.97 143.53 30.57 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.747 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.98 12.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.906 -2.257 . . . . 25.0 104.906 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.54 163.67 39.13 Favored 'General case' 0 CA--C 1.479 -1.782 0 CA-C-O 121.553 0.692 . . . . 25.0 110.306 -174.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 137.3 47.91 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 114.512 -1.222 . . . . 25.0 110.871 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -98.59 133.34 43.08 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.386 -2.45 . . . . 25.0 104.386 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.0 138.99 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.53 -134.8 2.17 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.07 -8.76 51.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.627 0.713 . . . . 25.0 110.729 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.16 31.63 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 104.293 -3.523 . . . . 25.0 104.293 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.09 137.76 56.73 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 118.763 1.281 . . . . 50.0 107.793 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -133.45 124.99 28.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.691 -0.631 . . . . 25.0 109.754 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.22 114.28 26.35 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 42.6 m-85 -99.76 115.92 30.65 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.62 123.95 48.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -118.84 134.15 55.36 Favored 'General case' 0 CA--C 1.484 -1.566 0 CA-C-O 123.322 1.534 . . . . 25.0 107.641 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.75 142.74 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.308 0 N-CA-C 121.428 3.862 . . . . 50.0 121.428 -163.575 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -94.05 133.2 37.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.459 -1.701 . . . . 25.0 108.756 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.16 150.84 20.69 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.878 0.847 . . . . 25.0 112.31 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.5 175.95 45.53 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 105.853 -2.899 . . . . 25.0 105.853 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -122.81 146.68 47.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.1 p -106.4 142.86 35.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 25.0 110.578 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 p -73.96 -23.72 59.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.937 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 63.8 m -123.46 174.43 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.759 0.79 . . . . 25.0 111.969 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.683 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.5 p -136.59 178.76 6.82 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 114.632 -1.167 . . . . 25.0 110.116 -174.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -58.0 -25.24 60.81 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 116.627 2.084 . . . . 25.0 116.627 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.296 0.7 OUTLIER -107.82 -14.59 14.75 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 116.137 1.903 . . . . 25.0 116.137 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HB2' ' H ' ' A' ' 74' ' ' THR . 8.0 mm100 -75.65 153.41 85.39 Favored Pre-proline 0 C--N 1.296 -1.737 0 CA-C-N 111.453 -2.612 . . . . 25.0 108.366 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.15 170.61 19.99 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 121.42 1.413 . . . . 25.0 113.999 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 57.99 49.95 10.96 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.268 1.951 . . . . 25.0 116.268 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.99 -10.46 9.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -42.19 13.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.762 1.268 . . . . 25.0 109.118 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -87.23 -35.03 18.75 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.9 m -62.93 -57.41 21.55 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.586 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -67.86 -25.31 39.21 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 114.382 -3.278 . . . . 25.0 114.351 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.25 -36.93 78.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.259 0.481 . . . . 25.0 109.971 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -83.71 -32.56 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -61.91 -46.17 90.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.77 -55.12 48.2 Favored Pre-proline 0 N--CA 1.475 0.807 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -70.73 -14.2 32.84 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 114.366 -3.289 . . . . 25.0 115.146 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -68.83 -26.09 64.99 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.584 -0.697 . . . . 25.0 110.839 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.74 92.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.071 1.508 . . . . 25.0 115.071 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.65 59.5 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 173.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.78 134.98 35.11 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -126.74 134.5 50.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.85 143.88 29.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.826 -1.916 . . . . 25.0 105.826 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -124.19 138.82 54.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.45 158.16 20.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.273 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 m -129.88 127.06 39.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.46 131.19 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -122.68 107.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -100.44 118.73 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -90.34 121.62 32.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.87 135.62 41.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.572 -2.381 . . . . 25.0 104.572 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.41 103.32 20.07 Favored Pre-proline 0 N--CA 1.435 -1.208 1 N-CA-C 95.835 -5.617 . . . . 50.0 95.835 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.3 -20.26 16.45 Favored 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 106.823 -8.318 . . . . 25.0 114.336 -168.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -64.18 -17.73 63.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.416 -1.266 . . . . 25.0 114.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -122.31 -2.16 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.024 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.36 15.72 75.11 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-O 121.734 0.63 . . . . 25.0 111.932 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.0 p -103.34 166.98 10.1 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 123.745 0.818 . . . . 25.0 108.876 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.2 ptt? -148.1 157.6 43.6 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.4 m -143.76 140.04 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.492 0.717 . . . . 25.0 110.356 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.48 117.32 7.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 121.614 0.721 . . . . 25.0 109.686 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -89.26 -32.07 17.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.287 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -152.58 140.3 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.622 0.248 . . . . 25.0 111.541 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.57 124.95 26.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 104.391 -2.448 . . . . 25.0 104.391 170.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -140.71 149.51 42.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -147.71 175.9 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.199 -2.149 . . . . 25.0 105.199 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -76.46 145.52 39.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.233 -0.889 . . . . 25.0 109.707 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -149.92 129.52 6.49 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.8 -171.12 1.04 Allowed 'Trans proline' 0 CA--C 1.534 0.48 0 O-C-N 122.162 0.559 . . . . 25.0 110.885 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.81 -18.2 4.85 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 112.094 -0.403 . . . . 25.0 112.094 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -140.22 79.53 21.42 Favored Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.1 159.07 41.42 Favored 'Trans proline' 0 C--O 1.238 0.516 0 C-N-CA 118.61 -0.46 . . . . 25.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.25 165.74 29.33 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 118.148 -0.768 . . . . 25.0 111.424 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -137.32 113.59 10.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.6 153.72 37.7 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 102.597 -3.112 . . . . 25.0 102.597 170.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.85 136.07 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.817 -1.549 . . . . 50.0 106.817 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.7 -5.2 82.77 Favored Glycine 0 C--O 1.226 -0.383 0 C-N-CA 121.151 -0.547 . . . . 25.0 113.535 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.11 174.21 34.69 Favored Glycine 0 C--O 1.237 0.342 0 N-CA-C 111.682 -0.567 . . . . 25.0 111.682 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.21 159.82 17.74 Favored 'Trans proline' 0 C--N 1.342 0.22 0 N-CA-C 115.325 1.24 . . . . 25.0 115.325 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -148.88 148.68 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.19 142.8 27.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 103.726 -2.694 . . . . 25.0 103.726 172.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.12 158.1 30.03 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.75 155.65 39.74 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' HA ' HG11 ' A' ' 23' ' ' VAL . 13.7 m -65.04 -18.71 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 50.0 111.942 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.65 -23.77 45.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.109 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.18 143.11 34.56 Favored 'General case' 0 CA--C 1.453 -2.75 1 N-CA-C 122.036 4.087 . . . . 25.0 122.036 178.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.09 -40.69 77.43 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 112.218 -2.265 . . . . 25.0 111.774 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.76 -21.38 78.92 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.55 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 18' ' ' VAL . 97.5 t -88.73 -49.21 14.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 117.919 0.86 . . . . 50.0 110.469 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -52.02 -43.16 63.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.532 0.568 . . . . 25.0 112.532 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.67 69.27 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -33.79 21.67 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -57.22 -62.5 1.72 Allowed 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -70.13 -32.11 69.96 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 123.919 0.762 . . . . 25.0 110.207 -171.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.41 -47.83 74.91 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.17 68.3 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.1 t -70.8 -41.41 77.39 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.5 -38.31 96.13 Favored Glycine 0 C--O 1.208 -1.509 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -175.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tt0 -85.3 -27.45 25.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 122.363 1.078 . . . . 25.0 111.807 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -87.28 -62.98 1.38 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 123.919 1.818 . . . . 25.0 115.108 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -84.47 -51.18 7.11 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 112.028 -2.351 . . . . 25.0 113.297 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.7 -32.12 69.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 -179.411 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -69.88 -32.11 70.28 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -75.49 151.68 37.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.54 -0.754 . . . . 25.0 109.528 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -87.67 52.13 2.4 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 25.0 111.785 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -70.62 129.53 39.43 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.437 0.637 . . . . 25.0 109.628 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.7 mtp -69.86 -14.48 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.01 156.86 39.22 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 105.008 -2.219 . . . . 25.0 105.008 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -79.6 112.34 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.294 -1.362 . . . . 25.0 109.959 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -88.37 140.43 29.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 103.222 -2.881 . . . . 25.0 103.222 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -147.2 146.91 30.0 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.245 -0.889 . . . . 25.0 112.08 -172.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.64 102.24 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 102.911 -2.996 . . . . 25.0 102.911 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.98 -48.28 58.82 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 122.107 0.956 . . . . 25.0 111.07 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -147.61 127.64 13.67 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 113.7 -1.591 . . . . 25.0 108.537 -171.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.83 126.87 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -85.11 -45.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -145.22 145.82 31.46 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.99 103.14 4.56 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -140.09 166.08 25.63 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.769 0.795 . . . . 25.0 111.869 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 145.9 26.53 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.927 -1.033 . . . . 25.0 112.563 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -98.71 139.36 34.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.89 129.45 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.9 -151.37 13.03 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 107.912 -2.075 . . . . 25.0 107.912 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.61 66.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 117.49 0.645 . . . . 25.0 110.26 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.26 153.03 18.44 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 104.473 -3.451 . . . . 25.0 104.473 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.2 123.12 68.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 105.749 -1.945 . . . . 50.0 105.749 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.23 120.37 32.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.62 134.43 34.7 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.5 m-85 -122.99 113.8 19.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.61 -2.367 . . . . 25.0 104.61 175.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -113.64 133.7 55.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 123.535 1.636 . . . . 25.0 108.978 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 49' ' ' VAL 0.264 0.9 OUTLIER -145.9 140.47 21.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 N-CA-C 121.036 3.717 . . . . 50.0 121.036 -165.581 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -90.26 134.87 34.02 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 112.915 -1.948 . . . . 25.0 107.788 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.58 151.76 26.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.64 1.209 . . . . 25.0 113.466 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.18 168.39 40.39 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 103.432 -3.867 . . . . 25.0 103.432 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -113.27 136.47 52.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.518 -1.66 . . . . 25.0 106.518 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -116.25 146.98 41.94 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.107 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.7 p -88.75 -24.44 22.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.546 1.313 . . . . 25.0 114.546 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.0 m -99.79 152.42 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.439 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -107.36 171.45 7.37 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.183 0.992 . . . . 25.0 111.163 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -23.48 64.49 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.017 1.858 . . . . 25.0 116.017 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.262 0.8 OUTLIER -107.56 -15.19 14.66 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.439 ' HB2' ' H ' ' A' ' 74' ' ' THR . 32.9 mt-30 -73.61 153.49 89.58 Favored Pre-proline 0 C--N 1.297 -1.675 0 CA-C-N 111.601 -2.545 . . . . 25.0 108.863 172.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.2 170.8 17.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 120.483 0.789 . . . . 25.0 113.796 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 63.28 44.2 5.74 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.8 -16.86 59.93 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.34 -42.11 23.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.133 0.968 . . . . 25.0 109.305 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -79.44 -43.7 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -172.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.32 -60.8 9.06 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 119.655 -0.818 . . . . 25.0 111.37 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.3 Cg_endo -66.87 -24.79 46.0 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 115.021 -2.853 . . . . 25.0 114.751 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.35 -40.08 92.93 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.548 0.613 . . . . 25.0 110.549 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.57 -30.44 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 69.0 m-20 -62.03 -47.67 83.69 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.078 -0.389 . . . . 25.0 111.299 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -54.23 -56.0 30.94 Favored Pre-proline 0 N--CA 1.471 0.621 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.13 -22.04 47.81 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 115.453 -2.565 . . . . 25.0 115.845 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.186 -0.321 . . . . 25.0 111.583 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 84.65 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -33.79 70.59 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -86.03 90.1 8.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -74.67 110.14 8.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.893 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 133.28 35.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.2 139.92 53.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.93 0.871 . . . . 25.0 110.344 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.9 m -127.41 157.67 39.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.359 -1.291 . . . . 25.0 110.52 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.3 m -129.88 131.96 46.25 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.95 131.06 53.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.54 114.59 19.61 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.88 122.82 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.91 124.78 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.78 133.89 47.09 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -101.16 103.25 24.61 Favored Pre-proline 0 N--CA 1.433 -1.311 1 N-CA-C 97.365 -5.05 . . . . 50.0 97.365 -171.148 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.57 -21.58 14.69 Favored 'Trans proline' 0 N--CA 1.452 -0.953 1 C-N-CA 106.528 -8.514 . . . . 25.0 115.14 -169.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.21 -29.13 65.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.652 -0.704 . . . . 25.0 112.884 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -111.23 -3.45 15.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.841 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.18 75.7 Favored Glycine 0 N--CA 1.461 0.327 0 CA-C-O 121.917 0.732 . . . . 25.0 111.694 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 p -103.8 167.43 9.79 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 123.926 0.89 . . . . 25.0 109.225 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.436 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.2 ptt? -148.27 156.97 43.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 169.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.7 m -141.72 139.46 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.288 0.635 . . . . 25.0 109.77 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.61 114.0 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -85.21 -31.33 23.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.195 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -153.41 140.99 19.88 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.846 0.355 . . . . 25.0 111.667 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 p -135.65 121.94 20.41 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 102.843 -3.021 . . . . 25.0 102.843 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -134.89 148.44 50.09 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 104.883 -2.266 . . . . 25.0 104.883 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.8 175.26 11.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -126.88 151.99 47.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 174.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.25 143.25 55.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 CA-C-O 117.908 -1.044 . . . . 25.0 109.586 179.644 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 119.475 -0.297 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -148.48 147.05 24.12 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.4 166.12 30.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 117.512 -1.192 . . . . 25.0 112.67 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.82 -179.33 32.18 Favored Glycine 0 C--O 1.237 0.3 0 C-N-CA 121.268 -0.491 . . . . 25.0 113.043 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -139.48 155.2 71.99 Favored Pre-proline 0 N--CA 1.468 0.463 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.11 147.59 73.52 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 116.057 -2.162 . . . . 25.0 111.827 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.64 154.29 44.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 117.997 -0.869 . . . . 25.0 113.471 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -159.83 171.36 19.61 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.48 150.87 20.51 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -142.91 133.09 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 N-CA-C 105.509 -2.034 . . . . 50.0 105.509 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.28 -66.67 2.57 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 114.923 0.729 . . . . 25.0 114.923 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.83 -176.76 46.16 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.26 147.13 20.3 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 116.339 -1.974 . . . . 25.0 113.309 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.7 ptm -148.88 148.71 30.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.21 150.55 24.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.015 -2.957 . . . . 25.0 103.015 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.47 156.0 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 104.756 -2.313 . . . . 25.0 104.756 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -75.77 155.57 35.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.67 -19.24 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -72.22 -30.65 65.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.971 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.295 1.0 OUTLIER -52.42 135.42 33.41 Favored 'General case' 0 CA--C 1.442 -3.185 0 N-CA-C 121.264 3.802 . . . . 25.0 121.264 176.493 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.43 -33.78 76.3 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 113.417 -1.719 . . . . 25.0 111.727 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.16 -22.89 72.9 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.146 -0.934 . . . . 25.0 111.441 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -88.73 -49.79 13.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 CA-C-N 117.916 0.858 . . . . 50.0 110.115 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -50.55 -47.39 57.76 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.199 0.454 . . . . 25.0 111.76 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -27.87 69.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.47 -32.06 22.47 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.9 -57.3 10.23 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.78 -35.23 79.6 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.484 0.49 . . . . 25.0 109.822 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.04 -48.91 79.56 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.99 79.55 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 31' ' ' VAL 0.283 1.1 t -73.97 -38.6 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.29 0 N-CA-C 106.635 -1.617 . . . . 50.0 106.635 -174.062 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.32 -36.21 93.09 Favored Glycine 0 C--O 1.211 -1.285 0 N-CA-C 107.946 -2.062 . . . . 25.0 107.946 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.8 tt0 -85.26 -28.9 25.04 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 122.481 1.134 . . . . 25.0 112.134 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.22 -62.91 1.39 Allowed 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.53 -52.0 6.46 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.172 -2.286 . . . . 25.0 112.015 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -71.77 -29.98 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.966 -178.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.58 -32.06 67.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -73.17 151.26 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -87.09 54.59 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.593 0.711 . . . . 25.0 111.141 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.39 128.93 37.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.491 0.662 . . . . 25.0 110.285 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.5 mmt -72.82 -17.28 61.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.625 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.99 165.14 12.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.66 112.52 18.92 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -113.94 134.95 54.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -150.48 164.55 35.65 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -71.74 102.08 2.73 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 102.657 -3.09 . . . . 25.0 102.657 169.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -48.48 81.52 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -157.57 136.0 11.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.891 -1.05 . . . . 25.0 108.75 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.18 130.59 35.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.6 t -87.33 -45.87 16.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -146.5 151.02 36.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.76 118.98 8.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.51 168.89 24.07 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.23 0.538 . . . . 25.0 111.777 -175.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.52 48.68 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.074 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -125.65 108.92 12.02 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.791 -2.3 . . . . 25.0 104.791 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.34 138.54 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -180.0 -151.98 10.45 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.92 67.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 117.56 0.68 . . . . 25.0 109.773 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.48 155.55 20.52 Favored Glycine 0 N--CA 1.449 -0.483 1 N-CA-C 101.827 -4.509 . . . . 25.0 101.827 173.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.88 132.1 71.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 CA-C-N 119.111 1.456 . . . . 50.0 108.985 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -123.53 129.45 51.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.234 0.54 . . . . 25.0 110.123 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.33 132.95 42.57 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.551 -2.389 . . . . 25.0 104.551 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.8 m-85 -123.19 119.63 30.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.005 -1.479 . . . . 25.0 107.005 177.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -122.84 133.58 54.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -121.49 132.79 54.92 Favored 'General case' 0 CA--C 1.482 -1.635 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 HG22 ' A' ' 49' ' ' VAL 0.296 0.9 OUTLIER -144.66 139.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 121.413 3.857 . . . . 50.0 121.413 -165.809 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -90.19 137.51 32.29 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 113.08 -1.873 . . . . 25.0 108.535 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.1 mp -116.44 149.0 40.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.4 1.095 . . . . 25.0 113.699 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.25 172.15 42.75 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 103.834 -3.706 . . . . 25.0 103.834 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -121.02 140.43 51.93 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.6 p -101.78 146.79 27.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.702 0.763 . . . . 25.0 112.511 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.7 p -87.97 1.03 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.77 138.12 38.24 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.554 -1.203 . . . . 25.0 108.387 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 p -137.21 173.28 11.85 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.32 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -60.86 -23.63 65.3 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.148 1.536 . . . . 25.0 115.148 176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.267 0.7 OUTLIER -104.55 -14.79 15.54 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 118.451 2.76 . . . . 25.0 118.451 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -55.07 149.77 23.13 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-N 112.808 -1.997 . . . . 25.0 111.476 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.86 -19.48 20.81 Favored 'Trans proline' 0 C--O 1.219 -0.463 0 N-CA-C 118.325 2.394 . . . . 25.0 118.325 -172.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.75 77.57 1.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.513 0.597 . . . . 25.0 112.417 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.72 -13.76 62.38 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.64 -42.33 11.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.491 1.138 . . . . 25.0 111.164 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -83.19 -34.98 25.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.847 -1.07 . . . . 25.0 113.607 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.34 -57.97 21.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 120.163 -0.615 . . . . 25.0 111.038 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.76 -22.78 42.78 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 116.578 -1.814 . . . . 25.0 113.573 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.78 -44.54 96.68 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -84.65 -29.65 25.52 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -47.27 84.49 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.712 -0.618 . . . . 25.0 110.627 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.99 -58.27 9.99 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.34 -26.22 48.61 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.978 -2.881 . . . . 25.0 115.309 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.55 107.34 0.66 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.947 0.88 . . . . 25.0 112.893 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 174.46 7.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 103.047 -2.945 . . . . 25.0 103.047 169.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 56.09 51.99 11.08 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.151 0.977 . . . . 25.0 111.133 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -75.42 110.26 9.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 153.07 22.26 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -123.98 124.17 42.0 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.666 1.222 . . . . 25.0 108.307 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 68' ' ' LEU . 79.4 m -114.52 160.03 19.7 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.459 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.9 m -128.54 129.92 46.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -123.72 132.08 53.74 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.29 -0.868 . . . . 25.0 108.843 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -126.01 118.14 24.72 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.32 119.71 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -90.43 125.35 35.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.34 134.03 47.42 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.74 103.24 27.16 Favored Pre-proline 0 N--CA 1.434 -1.27 1 N-CA-C 96.684 -5.302 . . . . 50.0 96.684 -171.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -75.55 -19.15 17.0 Favored 'Trans proline' 0 N--CA 1.451 -0.998 1 C-N-CA 106.656 -8.43 . . . . 25.0 115.183 -168.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -61.78 -29.23 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -109.8 -3.46 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.399 0.142 . . . . 25.0 111.265 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.98 17.4 78.56 Favored Glycine 0 C--O 1.228 -0.228 0 CA-C-O 121.992 0.773 . . . . 25.0 111.423 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -103.05 167.32 9.9 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 123.573 0.749 . . . . 25.0 109.058 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 25.5 ptp -148.29 157.09 43.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 170.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -144.47 141.95 29.94 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.359 0.664 . . . . 25.0 109.894 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.63 115.25 5.61 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.809 -0.812 . . . . 25.0 108.809 175.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -91.5 -26.4 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.673 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -150.97 141.19 22.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.78 114.92 8.33 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 102.977 -2.971 . . . . 25.0 102.977 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -137.58 154.05 49.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.32 175.0 10.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -127.51 151.95 48.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 25.0 111.942 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -86.41 151.43 23.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 172.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.338 -1.315 . . . . 25.0 108.524 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.04 84.82 7.87 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.85 -6.06 18.01 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 116.776 1.799 . . . . 25.0 116.776 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 175.71 29.28 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-O 122.291 0.94 . . . . 25.0 114.299 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -152.85 58.75 2.55 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 114.404 -0.898 . . . . 25.0 111.239 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.48 147.48 46.43 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 116.93 -1.58 . . . . 25.0 113.798 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.38 168.66 19.77 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-O 121.089 0.37 . . . . 25.0 112.226 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -154.24 150.02 27.6 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.19 33.12 4.15 Favored 'General case' 0 CA--C 1.45 -2.866 0 CA-C-O 122.135 0.969 . . . . 25.0 109.606 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.58 153.43 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.629 0 N-CA-C 102.336 -3.209 . . . . 50.0 102.336 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.91 177.82 46.85 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.126 -1.035 . . . . 25.0 113.104 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.91 178.6 48.11 Favored Glycine 0 C--O 1.244 0.731 0 N-CA-C 103.616 -3.793 . . . . 25.0 103.616 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.51 139.63 23.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 115.556 -2.496 . . . . 25.0 112.513 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -149.0 148.73 30.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.392 . . . . 25.0 109.944 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 173.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.55 156.96 33.12 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -71.56 156.8 39.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.717 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.75 -19.43 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.272 0.558 . . . . 50.0 110.742 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.44 -28.03 60.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.186 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -54.39 136.86 43.32 Favored 'General case' 0 CA--C 1.439 -3.324 0 N-CA-C 120.183 3.401 . . . . 25.0 120.183 178.408 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -67.26 -27.48 67.24 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 113.341 -1.754 . . . . 25.0 112.05 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.51 -23.53 77.52 Favored Glycine 0 C--O 1.225 -0.42 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.491 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -88.47 -46.66 15.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-N 117.707 0.754 . . . . 50.0 110.637 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -51.26 -44.75 61.85 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -27.03 69.0 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 113.591 0.96 . . . . 25.0 113.591 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -33.82 21.69 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.49 -63.02 1.3 Allowed 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.37 -33.49 71.5 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.022 0.826 . . . . 25.0 110.538 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.28 -47.23 77.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.1 74.84 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.285 1.2 t -71.87 -40.44 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.09 -37.0 94.21 Favored Glycine 0 N--CA 1.435 -1.375 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 -175.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.6 tt0 -85.51 -28.07 25.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.138 0.97 . . . . 25.0 111.813 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -87.06 -62.65 1.45 Allowed 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.307 1.966 . . . . 25.0 116.307 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.31 -53.0 5.78 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.627 -2.079 . . . . 25.0 111.94 -172.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -69.87 -30.86 68.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.039 -178.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.68 -32.16 65.59 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 t -73.92 153.06 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.57 -0.741 . . . . 25.0 109.86 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -87.07 53.05 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.525 0.679 . . . . 25.0 110.131 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -67.01 128.9 38.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.4 mtm -75.61 -14.76 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.012 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -114.03 164.94 13.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.02 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -85.65 112.65 21.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -125.61 144.55 50.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.95 163.55 38.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.4 105.16 2.08 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 101.716 -3.438 . . . . 25.0 101.716 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.71 -49.9 64.54 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.879 0.847 . . . . 25.0 109.137 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.44 130.21 9.23 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.784 -1.553 . . . . 25.0 109.397 -170.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -76.87 132.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.91 -48.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -144.8 145.48 31.66 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.46 114.85 9.82 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -149.34 163.74 36.86 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-O 121.54 0.686 . . . . 25.0 111.747 -173.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 153.86 35.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.37 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 136.09 39.19 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 103.937 -2.616 . . . . 25.0 103.937 175.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 mm -124.43 132.29 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.08 -153.64 24.62 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 109.979 -1.248 . . . . 25.0 109.979 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -21.4 64.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.234 0.54 . . . . 25.0 110.9 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.67 135.37 8.35 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 104.295 -3.522 . . . . 25.0 104.295 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.72 131.06 66.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 105.137 -2.172 . . . . 50.0 105.137 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -137.31 117.88 13.89 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.868 -0.52 . . . . 25.0 110.02 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -91.64 134.86 34.33 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.0 m-85 -123.19 118.88 28.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.97 117.54 23.48 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -111.64 132.15 54.78 Favored 'General case' 0 CA--C 1.489 -1.399 0 CA-C-O 123.743 1.735 . . . . 25.0 109.052 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.586 HG23 HG22 ' A' ' 49' ' ' VAL 0.253 0.9 OUTLIER -144.56 141.16 23.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 120.349 3.463 . . . . 50.0 120.349 -166.654 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -92.98 135.21 34.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.23 -1.805 . . . . 25.0 107.134 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.0 mp -113.73 154.22 27.69 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.958 0.885 . . . . 25.0 111.161 175.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.42 147.11 10.34 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 105.459 -3.056 . . . . 25.0 105.459 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -77.91 136.06 37.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.355 -1.72 . . . . 25.0 106.355 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -92.76 144.84 24.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.971 0.415 . . . . 25.0 111.129 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -75.05 -19.47 60.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 25.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.7 m -105.2 165.84 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.559 . . . . 25.0 112.389 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 165.52 13.98 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 123.266 1.508 . . . . 25.0 113.151 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.64 -19.4 63.75 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 111.949 -2.387 . . . . 25.0 115.433 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.273 0.8 OUTLIER -108.67 -15.08 14.49 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 117.825 2.528 . . . . 25.0 117.825 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -60.46 153.37 60.65 Favored Pre-proline 0 C--N 1.3 -1.562 0 CA-C-N 112.623 -2.081 . . . . 25.0 114.128 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.4 18.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.79 2.327 . . . . 25.0 117.453 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -140.55 40.55 1.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.003 1.112 . . . . 25.0 114.003 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -12.43 38.84 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.389 1.996 . . . . 25.0 116.389 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -90.73 -42.06 10.92 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.701 -0.799 . . . . 25.0 110.557 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -81.59 -37.19 28.04 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.03 -54.87 46.26 Favored Pre-proline 0 C--O 1.216 -0.698 0 C-N-CA 119.659 -0.816 . . . . 25.0 110.481 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 48.7 Cg_endo -64.72 -24.61 61.94 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 114.614 -3.124 . . . . 25.0 114.152 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -38.17 89.87 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 174.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -81.45 -19.65 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.301 0.572 . . . . 25.0 112.205 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 73.4 m-20 -77.15 -31.45 55.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -55.1 -54.64 48.04 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.43 -23.36 44.08 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 113.391 -3.94 . . . . 25.0 114.557 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -76.69 -11.52 59.86 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 98.48 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -76.75 -12.4 59.98 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.136 0.493 . . . . 25.0 110.204 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -130.71 132.01 45.11 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.643 -3.095 . . . . 25.0 102.643 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -96.57 141.79 29.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.13 130.36 52.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.17 139.98 53.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.279 1.038 . . . . 25.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' ' 68' ' ' LEU . 78.6 m -125.36 157.41 36.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.962 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.3 m -129.84 121.32 26.51 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -114.41 134.37 55.04 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -130.5 123.01 28.69 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.9 mt -117.62 118.07 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -90.39 125.99 35.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.244 -1.762 . . . . 25.0 106.244 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.15 136.04 44.51 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.46 103.31 34.92 Favored Pre-proline 0 N--CA 1.433 -1.288 1 N-CA-C 96.556 -5.35 . . . . 50.0 96.556 -170.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.06 -21.66 15.51 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 106.694 -8.404 . . . . 25.0 114.757 -169.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -61.73 -18.38 59.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -123.58 1.19 8.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.645 0.26 . . . . 25.0 110.703 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.41 14.96 69.89 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-O 122.055 0.808 . . . . 25.0 112.188 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -101.57 167.46 10.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.43 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.7 ptt? -148.32 157.56 43.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.0 m -140.38 138.94 35.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.045 0.538 . . . . 25.0 109.946 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 115' ' ' SER . 33.4 tp -65.45 111.83 3.27 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -84.15 -27.88 27.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.346 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -155.33 144.84 21.18 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.9 p -144.38 114.42 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.194 -2.15 . . . . 25.0 105.194 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -131.21 148.92 52.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -151.09 170.45 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.774 1.027 . . . . 25.0 113.774 -173.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -122.31 160.26 25.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.51 -1.223 . . . . 25.0 107.878 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.67 112.63 2.33 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.673 1.361 . . . . 25.0 114.673 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.66 -0.686 . . . . 25.0 111.318 177.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -68.45 153.51 95.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.76 148.94 59.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 116.142 -2.105 . . . . 25.0 112.26 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.58 32.93 3.8 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.852 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -154.58 148.5 18.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.23 0.515 . . . . 25.0 109.693 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.07 166.19 29.65 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 O-C-N 122.196 0.577 . . . . 25.0 110.819 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.07 -12.21 25.69 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 117.494 -1.204 . . . . 25.0 113.671 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -132.82 111.41 11.08 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -101.56 63.6 0.96 Allowed 'General case' 0 CA--C 1.453 -2.785 0 CA-C-O 123.191 1.472 . . . . 25.0 109.909 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.06 141.63 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.445 0 CA-C-N 111.442 -2.617 . . . . 50.0 104.252 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.11 174.74 47.02 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.179 -1.169 . . . . 25.0 110.179 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.41 -177.69 46.49 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 104.627 -3.389 . . . . 25.0 104.627 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.6 138.29 26.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 115.596 -2.47 . . . . 25.0 112.928 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -148.78 150.71 33.56 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 147.08 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 159.41 29.34 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -70.98 156.49 39.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.6 m -64.72 -17.74 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.517 0.675 . . . . 50.0 111.732 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.65 -16.05 40.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.344 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.259 0.6 OUTLIER -57.99 146.39 32.73 Favored 'General case' 0 CA--C 1.455 -2.691 0 N-CA-C 120.985 3.698 . . . . 25.0 120.985 175.036 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -55.5 -42.68 74.78 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 112.52 -2.127 . . . . 25.0 111.693 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.65 -21.32 78.84 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 114.815 -1.084 . . . . 25.0 113.246 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 18' ' ' VAL . 98.7 t -88.54 -48.57 14.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 118.353 1.077 . . . . 50.0 110.541 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -52.63 -42.41 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.78 -25.24 67.16 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -34.44 22.09 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 107.429 -1.322 . . . . 25.0 107.429 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.4 mt -59.44 -63.0 1.46 Allowed 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -71.01 -24.53 62.39 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -70.99 -43.91 67.02 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.356 -0.538 . . . . 25.0 109.6 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.83 89.47 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 27' ' ' LEU . 1.2 t -82.74 -22.68 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.252 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -59.85 -37.48 92.59 Favored Glycine 0 C--O 1.198 -2.095 0 N-CA-C 103.71 -3.756 . . . . 25.0 103.71 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -85.41 -28.09 25.35 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 123.335 1.54 . . . . 25.0 113.413 -176.409 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -85.64 -62.83 1.44 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 123.402 1.572 . . . . 25.0 114.239 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.499 ' HB2' HG12 ' A' ' 31' ' ' VAL . 5.2 m-20 -83.76 -51.93 6.82 Favored 'General case' 0 CA--C 1.476 -1.883 1 N-CA-C 122.75 4.352 . . . . 25.0 122.75 174.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -64.44 -26.07 68.29 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -83.14 -32.17 26.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.8 m -96.13 159.5 14.93 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.277 1.584 . . . . 25.0 115.277 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -97.98 52.53 1.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.14 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -68.43 128.11 35.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.58 -12.77 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.053 -0.522 . . . . 25.0 111.053 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -123.87 164.22 19.68 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -88.59 112.41 23.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.121 -1.432 . . . . 25.0 108.673 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.44 128.59 41.61 Favored 'General case' 0 C--O 1.18 -2.557 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 165.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -155.49 171.22 20.29 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -164.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -56.41 102.21 0.07 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 170.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.98 -48.36 30.93 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-O 122.041 0.924 . . . . 25.0 110.322 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -149.62 131.1 14.79 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.665 -1.607 . . . . 25.0 108.58 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.76 130.28 36.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -87.74 -45.4 16.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -143.98 146.07 32.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.9 103.21 4.15 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -139.59 168.05 20.7 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-O 121.96 0.886 . . . . 25.0 113.028 -175.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 143.81 30.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.683 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -98.95 134.78 41.32 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.06 134.04 66.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.93 -148.52 8.32 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 106.226 -2.75 . . . . 25.0 106.226 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.16 68.18 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 117.906 0.853 . . . . 25.0 110.12 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.72 163.18 20.72 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 104.798 -3.321 . . . . 25.0 104.798 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.9 t -122.97 128.24 75.08 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 N-CA-C 106.176 -1.787 . . . . 50.0 106.176 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 123.82 31.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.921 -0.487 . . . . 25.0 110.443 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.69 134.77 34.42 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.164 -1.421 . . . . 25.0 107.164 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.469 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 97.5 m-85 -123.27 113.5 18.97 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.01 116.73 25.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -109.08 134.39 51.75 Favored 'General case' 0 CA--C 1.49 -1.355 0 CA-C-O 123.497 1.617 . . . . 25.0 108.732 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL 0.268 0.9 OUTLIER -145.83 140.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 121.324 3.824 . . . . 50.0 121.324 -165.638 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.01 134.92 34.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.191 -1.822 . . . . 25.0 108.629 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.88 155.6 26.52 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 122.486 1.136 . . . . 25.0 110.761 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.24 163.79 35.44 Favored Glycine 0 N--CA 1.434 -1.478 0 N-CA-C 105.808 -2.917 . . . . 25.0 105.808 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -91.64 129.81 37.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 p -108.9 146.24 34.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.52 0.676 . . . . 25.0 111.845 -174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -76.88 -20.99 55.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.989 -1.005 . . . . 25.0 112.727 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.4 m -126.72 160.05 31.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 6.5 p -95.46 172.56 8.0 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.003 -1.453 . . . . 25.0 110.214 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -64.91 -14.59 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.2 -14.46 14.18 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 118.583 2.809 . . . . 25.0 118.583 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.9 mm100 -50.9 153.46 2.99 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 112.361 -2.2 . . . . 25.0 112.982 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.04 -7.34 20.59 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 N-CA-C 118.05 2.289 . . . . 25.0 118.05 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.48 57.28 1.81 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.36 -10.64 17.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -42.36 16.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.739 1.257 . . . . 25.0 108.757 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -84.41 -37.48 21.42 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 114.452 -1.249 . . . . 25.0 114.242 -172.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.04 -55.37 46.15 Favored Pre-proline 0 C--O 1.216 -0.706 0 C-N-CA 119.695 -0.802 . . . . 25.0 111.44 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.3 Cg_endo -70.14 -26.23 25.99 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 114.404 -3.264 . . . . 25.0 114.064 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.1 -33.17 72.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 118.431 0.56 . . . . 25.0 110.521 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -83.54 -41.72 17.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.582 0.706 . . . . 25.0 111.65 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.1 m-20 -67.46 -42.76 82.49 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -172.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -59.95 -51.07 83.21 Favored Pre-proline 0 N--CA 1.467 0.409 0 C-N-CA 118.657 -1.217 . . . . 25.0 113.778 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.72 -20.44 35.0 Favored 'Trans proline' 0 CA--C 1.539 0.75 1 C-N-CA 112.9 -4.267 . . . . 25.0 114.126 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -66.14 -37.03 84.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 86.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 25.0 110.838 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 174.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -91.31 80.03 5.59 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.22 112.45 8.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.56 140.83 33.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -123.94 137.55 54.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.893 0.854 . . . . 25.0 109.157 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.9 m -129.19 156.6 43.68 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.417 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.4 m -129.85 130.04 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.03 130.06 55.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -127.65 113.26 15.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.4 mt -107.84 122.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.1 124.0 35.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.5 135.8 41.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 104.651 -2.352 . . . . 25.0 104.651 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -99.51 103.15 19.3 Favored Pre-proline 0 N--CA 1.436 -1.153 1 N-CA-C 96.044 -5.539 . . . . 50.0 96.044 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.36 -21.62 15.02 Favored 'Trans proline' 0 N--CA 1.451 -0.983 1 C-N-CA 106.832 -8.312 . . . . 25.0 115.004 -167.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -60.22 -29.25 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.32 -0.855 . . . . 25.0 113.296 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -109.53 -4.32 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.492 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.54 77.1 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-O 121.71 0.617 . . . . 25.0 111.711 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -103.3 167.18 9.98 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.432 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.5 ptt? -148.08 157.61 43.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 170.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -139.89 138.89 36.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.259 0.623 . . . . 25.0 109.468 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.58 115.53 5.88 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.9 t -83.35 -35.2 25.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.449 0.642 . . . . 25.0 109.829 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -150.67 141.04 22.37 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.922 -0.581 . . . . 25.0 112.293 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 128.14 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 171.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -140.02 147.19 40.04 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -129.46 156.23 44.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -85.31 147.2 26.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 119.051 -0.499 . . . . 25.0 110.629 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 46.64 59.47 15.93 Favored Pre-proline 0 N--CA 1.477 0.894 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.1 -18.58 14.33 Favored 'Trans proline' 0 C--N 1.348 0.533 0 N-CA-C 118.273 2.374 . . . . 25.0 118.273 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.32 -11.98 34.79 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.441 -0.885 . . . . 25.0 113.804 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -62.21 129.38 92.16 Favored Pre-proline 0 C--O 1.239 0.516 0 O-C-N 122.475 -0.427 . . . . 25.0 110.227 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.36 156.38 50.5 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 117.228 -1.381 . . . . 25.0 111.754 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.56 158.8 39.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 117.199 -1.4 . . . . 25.0 111.487 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -62.76 134.11 55.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.6 mt -94.96 98.99 11.09 Favored 'General case' 0 CA--C 1.477 -1.86 0 CA-C-O 124.166 1.936 . . . . 25.0 113.051 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.27 -32.08 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 CA-C-N 110.182 -3.19 . . . . 50.0 109.464 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.19 5.43 89.66 Favored Glycine 0 N--CA 1.461 0.316 0 C-N-CA 120.987 -0.625 . . . . 25.0 112.86 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.74 -167.02 17.35 Favored Glycine 0 C--O 1.241 0.587 0 N-CA-C 108.672 -1.771 . . . . 25.0 108.672 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 92.0 Cg_endo -72.91 146.91 42.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 CA-C-N 119.217 1.508 . . . . 25.0 113.02 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.02 149.05 30.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.31 150.52 24.28 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 103.832 -2.655 . . . . 25.0 103.832 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.65 150.44 48.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -69.69 155.84 39.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' HG11 ' A' ' 23' ' ' VAL . 10.4 m -65.72 -21.52 29.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.77 -30.21 69.6 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.97 -1.013 . . . . 25.0 111.991 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 0.5 OUTLIER -49.97 135.45 20.14 Favored 'General case' 0 CA--C 1.447 -2.996 1 N-CA-C 122.312 4.19 . . . . 25.0 122.312 176.108 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.27 -31.39 72.53 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 112.967 -1.924 . . . . 25.0 111.877 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -23.35 78.19 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.343 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.3 t -88.28 -54.02 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.577 0.688 . . . . 50.0 111.408 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -52.02 -42.24 62.88 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.225 0.466 . . . . 25.0 112.254 -175.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -30.09 71.22 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.784 -0.767 . . . . 25.0 113.067 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.29 -34.63 21.86 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.64 -61.13 2.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.65 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.84 0.713 . . . . 25.0 109.528 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.77 -49.53 70.38 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.18 84.45 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 31' ' ' VAL 0.282 1.1 t -74.8 -38.43 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 N-CA-C 105.37 -2.085 . . . . 50.0 105.37 -174.068 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.73 92.43 Favored Glycine 0 C--O 1.207 -1.56 0 N-CA-C 108.114 -1.994 . . . . 25.0 108.114 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.2 tt0 -85.48 -29.08 24.57 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.919 0.866 . . . . 25.0 112.015 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -87.24 -62.9 1.4 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 123.848 1.785 . . . . 25.0 115.304 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -84.55 -51.38 6.92 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 111.764 -2.471 . . . . 25.0 112.248 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -72.21 -30.16 64.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.788 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.59 -31.86 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -80.3 157.09 26.5 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.063 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -98.64 53.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.27 0.557 . . . . 25.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.06 132.17 51.03 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.367 0.604 . . . . 25.0 109.565 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.2 ptm -63.82 -20.12 65.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.486 ' HB2' ' HD3' ' A' ' 70' ' ' ARG . 37.3 m-85 -131.39 164.91 24.65 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 104.635 -2.357 . . . . 25.0 104.635 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 74' ' ' THR . 73.0 m-70 -79.75 112.43 17.03 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 111.901 -176.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -101.51 143.22 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -156.33 163.58 39.33 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.71 102.58 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 101.79 -3.411 . . . . 25.0 101.79 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.78 -48.2 55.5 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-O 121.87 0.843 . . . . 25.0 110.571 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.18 130.85 14.03 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 113.78 -1.555 . . . . 25.0 109.172 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.5 125.72 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 177.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -83.7 -43.25 17.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -143.61 138.31 28.94 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -136.76 105.61 5.9 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 161.15 38.67 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 121.531 0.681 . . . . 25.0 110.996 -173.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.33 156.31 40.5 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.796 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.8 tt0 -98.78 135.72 39.84 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 177.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.9 mm -120.49 130.79 74.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.79 -153.11 24.25 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 109.866 -1.294 . . . . 25.0 109.866 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.91 -14.67 55.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.21 0.529 . . . . 25.0 111.54 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.02 138.42 9.77 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 103.896 -3.682 . . . . 25.0 103.896 174.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.99 128.55 73.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -137.25 116.76 12.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.864 -0.522 . . . . 25.0 110.078 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -93.52 134.46 35.76 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 122.56 0.344 . . . . 25.0 110.096 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -123.34 117.44 25.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.1 117.73 29.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.117 -1.809 . . . . 25.0 106.117 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -113.88 128.65 56.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 123.794 1.759 . . . . 25.0 107.147 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -140.86 141.23 32.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 120.27 3.433 . . . . 50.0 120.27 -165.022 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -98.7 132.94 43.7 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 112.728 -2.033 . . . . 25.0 107.973 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -108.59 151.91 25.48 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 122.343 1.068 . . . . 25.0 113.131 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.2 152.71 24.75 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 103.275 -3.93 . . . . 25.0 103.275 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.486 ' HD3' ' HB2' ' A' ' 42' ' ' TYR . 44.0 mtt85 -105.88 113.08 26.41 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -88.5 146.11 25.37 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.9 p -80.96 -5.11 57.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.018 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.6 p -99.91 161.47 13.59 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -135.3 175.48 9.54 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.197 -0.91 . . . . 25.0 113.255 -174.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -57.84 -26.1 61.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.299 0.8 OUTLIER -107.77 -14.82 14.71 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 116.054 1.872 . . . . 25.0 116.054 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.577 ' HB2' ' H ' ' A' ' 74' ' ' THR . 74.5 mm-40 -79.46 153.12 76.24 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 111.839 -2.437 . . . . 25.0 109.418 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -79.56 178.45 7.34 Favored 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 122.641 2.228 . . . . 25.0 115.295 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 59.49 45.48 13.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.987 1.847 . . . . 25.0 115.987 173.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.66 -10.33 35.18 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.421 1.637 . . . . 25.0 115.421 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -41.94 12.77 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.217 1.008 . . . . 25.0 108.934 176.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -83.91 -34.29 24.55 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.15 -57.26 28.41 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.535 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.11 -24.52 27.97 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 115.709 -2.394 . . . . 25.0 113.583 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -65.99 -29.56 69.96 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 118.205 0.457 . . . . 25.0 110.816 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -84.77 -32.55 23.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 25.0 111.326 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -46.37 88.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 122.465 0.306 . . . . 25.0 111.269 -175.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.56 -57.67 17.77 Favored Pre-proline 0 N--CA 1.468 0.452 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.95 -19.63 39.82 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 114.447 -3.235 . . . . 25.0 114.501 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.95 -20.29 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.73 -0.606 . . . . 25.0 111.054 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.17 91.41 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -32.44 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.148 -2.168 . . . . 25.0 105.148 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -76.61 133.45 39.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.185 -2.524 . . . . 25.0 104.185 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -123.61 109.78 14.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.328 0.513 . . . . 25.0 109.847 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.22 126.75 55.56 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -123.12 138.43 54.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.387 1.089 . . . . 25.0 111.098 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.415 ' SG ' HD13 ' A' ' 68' ' ' LEU . 82.1 m -124.57 155.86 38.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.273 -1.33 . . . . 25.0 111.314 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 t -129.78 120.98 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -115.66 128.86 56.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -127.14 124.86 40.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.8 mt -117.2 118.51 58.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -90.24 127.29 36.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -106.25 134.3 49.59 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.401 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -102.67 103.36 31.99 Favored Pre-proline 0 N--CA 1.433 -1.279 1 N-CA-C 96.965 -5.198 . . . . 50.0 96.965 -169.751 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.24 -22.44 14.4 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.422 -8.585 . . . . 25.0 114.617 -168.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -62.81 -16.65 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.46 0.08 8.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.691 0.282 . . . . 25.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.06 16.41 70.69 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-O 122.073 0.818 . . . . 25.0 112.24 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -106.08 167.19 9.97 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 123.753 0.821 . . . . 25.0 109.428 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.6 ptt? -148.29 157.48 43.51 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 169.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.0 m -141.05 140.34 34.23 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.145 0.578 . . . . 25.0 109.898 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 115' ' ' SER . 32.2 tp -65.49 111.75 3.25 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.5 t -84.92 -31.87 23.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.52 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.5 145.73 28.04 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 112' ' ' LEU . 38.9 t -148.17 116.42 6.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.82 -2.289 . . . . 25.0 104.82 172.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.99 151.15 47.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.225 -1.769 . . . . 25.0 106.225 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.86 17.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -125.13 136.63 53.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -86.29 151.84 23.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.791 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 173.378 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 p -158.01 166.17 17.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.75 171.72 17.26 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 117.068 -1.488 . . . . 25.0 110.617 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.95 56.44 3.11 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.549 -0.357 . . . . 25.0 113.306 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -126.68 78.42 72.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 123.302 0.641 . . . . 25.0 109.692 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.01 153.82 42.01 Favored 'Trans proline' 0 C--O 1.241 0.652 0 C-N-CA 115.986 -2.209 . . . . 25.0 110.965 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.86 146.21 58.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.332 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -128.83 109.69 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.536 -0.912 . . . . 25.0 108.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.2 90.59 8.45 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 123.667 1.698 . . . . 25.0 109.929 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.8 137.76 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 110.613 -2.994 . . . . 50.0 106.513 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.62 -136.6 31.74 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.46 -159.72 33.98 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 115.159 -0.52 . . . . 25.0 113.001 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.23 152.73 75.72 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.631 1.215 . . . . 25.0 114.666 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 ptm -135.89 142.54 44.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.23 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.39 140.1 31.79 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.72 165.69 11.83 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.9 p -83.19 154.13 24.4 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 3.3 m -69.37 -20.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 119.233 0.924 . . . . 50.0 108.884 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.03 -20.83 59.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 25.0 111.728 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.23 140.57 21.09 Favored 'General case' 0 CA--C 1.446 -3.054 0 N-CA-C 121.006 3.706 . . . . 25.0 121.006 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -58.42 -39.97 81.21 Favored 'General case' 0 N--CA 1.413 -2.293 0 CA-C-N 112.708 -2.042 . . . . 25.0 110.353 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.83 -23.44 78.0 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 114.853 -1.067 . . . . 25.0 112.348 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 18' ' ' VAL . 68.8 t -87.7 -52.57 11.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 CA-C-N 117.986 0.893 . . . . 50.0 111.201 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -51.18 -45.35 61.77 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 119.054 0.843 . . . . 25.0 112.809 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -28.1 69.36 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.44 -35.03 21.51 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' HG12 ' A' ' 23' ' ' VAL . 15.5 mt -64.23 -57.58 9.06 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.83 -33.35 75.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.77 -48.68 75.97 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.41 76.3 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.281 1.1 t -72.09 -40.54 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 105.531 -2.025 . . . . 50.0 105.531 -173.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.9 -37.11 94.37 Favored Glycine 0 C--O 1.211 -1.322 0 N-CA-C 108.832 -1.707 . . . . 25.0 108.832 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.4 tt0 -85.32 -28.3 25.34 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 122.161 0.981 . . . . 25.0 112.104 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.83 -62.92 1.4 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.551 1.685 . . . . 25.0 115.551 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.89 -52.76 6.09 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.1 -2.318 . . . . 25.0 112.404 -171.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 5.4 tmtt? -70.53 -29.86 66.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.702 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -73.41 -32.0 64.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 t -77.63 155.1 31.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.256 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -91.99 54.87 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.467 0.651 . . . . 25.0 110.152 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.65 130.17 42.6 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.1 mtt -69.17 -18.77 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.639 -0.709 . . . . 25.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.87 163.05 17.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -88.18 112.67 23.0 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 m -119.28 144.8 46.59 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.78 166.84 30.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.29 102.33 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.63 -47.21 33.38 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.107 0.956 . . . . 25.0 111.556 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -144.54 121.86 11.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.999 -1.455 . . . . 25.0 109.252 -170.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.4 129.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.396 -1.335 . . . . 50.0 107.396 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.2 t -88.05 -43.78 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -145.54 144.0 30.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.297 -0.41 . . . . 25.0 110.807 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 114.72 7.21 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.35 165.32 32.36 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.701 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.74 139.29 53.25 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -99.51 129.71 45.7 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.818 -2.29 . . . . 25.0 104.818 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.8 mm -107.46 142.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.99 -158.54 31.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 106.815 -2.514 . . . . 25.0 106.815 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.52 66.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.721 0.761 . . . . 25.0 109.393 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.53 158.34 19.03 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 104.746 -3.342 . . . . 25.0 104.746 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.56 136.13 60.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 107.378 -1.341 . . . . 50.0 107.378 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -131.84 126.4 34.18 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.797 -0.565 . . . . 25.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.76 111.21 22.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -98.78 114.3 26.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.28 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.75 136.8 53.57 Favored 'General case' 0 CA--C 1.479 -1.766 0 CA-C-O 123.285 1.517 . . . . 25.0 107.504 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 141.97 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 120.403 3.483 . . . . 50.0 120.403 -166.375 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.52 130.1 37.4 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.055 -1.884 . . . . 25.0 108.777 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.85 150.38 25.64 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 122.309 1.052 . . . . 25.0 111.835 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.75 164.11 36.73 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 104.673 -3.371 . . . . 25.0 104.673 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -101.7 136.41 41.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 104.668 -2.345 . . . . 25.0 104.668 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -107.3 152.55 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.337 1.236 . . . . 25.0 114.337 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.8 p -83.56 4.13 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.992 -1.004 . . . . 25.0 113.356 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.2 p -129.06 164.82 22.43 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.364 1.078 . . . . 25.0 113.383 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 p -114.69 174.24 6.07 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-N 114.337 -1.301 . . . . 25.0 109.191 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -58.98 -22.29 60.14 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 115.689 1.737 . . . . 25.0 115.689 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.306 0.8 OUTLIER -107.28 -14.6 14.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 119.884 3.29 . . . . 25.0 119.884 -179.188 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -55.54 145.66 48.33 Favored Pre-proline 0 C--N 1.298 -1.631 0 CA-C-N 111.462 -2.608 . . . . 25.0 111.493 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -83.38 10.06 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.766 2.311 . . . . 25.0 116.233 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -124.06 31.37 5.83 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 -173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -10.46 7.5 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 118.704 2.853 . . . . 25.0 118.704 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -87.81 -41.92 12.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.81 1.186 . . . . 25.0 109.418 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -77.71 -36.61 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.022 -0.99 . . . . 25.0 112.41 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.09 -64.53 2.23 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 119.177 -0.439 . . . . 25.0 111.646 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.0 Cg_endo -69.1 -26.78 30.34 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 114.54 -3.173 . . . . 25.0 113.738 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.73 -40.61 84.27 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 118.21 0.459 . . . . 25.0 111.193 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -84.81 -31.96 23.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.4 m-20 -68.82 -43.17 76.08 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.43 -52.83 70.14 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.84 -15.4 29.78 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 114.849 -2.968 . . . . 25.0 114.545 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -76.94 -15.32 59.7 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.84 -0.538 . . . . 25.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.32 90.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 25.0 112.013 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -74.35 -32.06 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -96.97 128.53 44.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 103.217 -2.883 . . . . 25.0 103.217 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -110.72 110.11 20.63 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.61 137.88 31.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.14 138.61 54.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -129.17 154.92 46.28 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.15 -0.932 . . . . 25.0 110.565 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.415 ' HB3' HE22 ' A' ' 100' ' ' GLN . 14.6 m -129.94 130.41 45.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -125.79 128.04 47.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.415 HE22 ' HB3' ' A' ' 98' ' ' SER . 20.2 mp0 -123.39 111.28 16.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.875 -0.602 . . . . 25.0 109.528 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.79 118.31 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -90.52 123.88 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.95 135.53 42.25 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.259 -2.497 . . . . 25.0 104.259 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.88 103.57 25.77 Favored Pre-proline 0 N--CA 1.433 -1.301 1 N-CA-C 96.2 -5.482 . . . . 50.0 96.2 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.72 -22.36 13.66 Favored 'Trans proline' 0 N--CA 1.452 -0.92 1 C-N-CA 106.509 -8.528 . . . . 25.0 114.964 -167.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -59.19 -32.64 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 25.0 112.66 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -106.03 -2.39 22.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.63 17.37 74.79 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-O 121.985 0.769 . . . . 25.0 111.835 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -104.62 167.19 9.89 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.937 0.895 . . . . 25.0 108.976 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.427 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 10.1 ptm -148.15 157.45 43.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -146.1 141.32 27.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.129 0.572 . . . . 25.0 110.25 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.0 115.75 6.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -89.4 -32.9 17.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.877 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -150.43 140.48 22.04 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.328 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 p -141.83 122.98 14.68 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.815 -2.291 . . . . 25.0 104.815 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -137.34 152.1 49.34 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.86 170.74 17.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.846 0.355 . . . . 25.0 111.701 -176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.57 155.04 34.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -68.15 143.22 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.998 -1.001 . . . . 25.0 109.318 -179.667 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 119.301 -0.381 . . . . 25.0 110.23 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -71.51 143.56 87.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -74.14 156.85 46.82 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 116.922 -1.585 . . . . 25.0 111.127 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.69 173.56 47.13 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.317 -0.468 . . . . 25.0 112.966 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -145.22 148.15 36.86 Favored Pre-proline 0 N--CA 1.473 0.692 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.0 162.47 41.53 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 117.392 -1.272 . . . . 25.0 110.356 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.03 110.36 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 117.584 -1.144 . . . . 25.0 113.716 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -148.33 137.82 22.13 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 mt -83.67 50.58 1.83 Allowed 'General case' 0 CA--C 1.458 -2.592 0 CA-C-O 122.041 0.924 . . . . 25.0 112.074 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.27 139.57 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 CA-C-N 113.941 -1.481 . . . . 50.0 109.133 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.65 24.73 52.67 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 118.139 2.015 . . . . 25.0 118.139 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 -121.84 5.68 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 118.515 1.157 . . . . 25.0 114.537 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 96.2 Cg_endo -71.34 141.32 38.74 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-N 119.731 1.766 . . . . 25.0 115.644 -176.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -137.79 147.57 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.32 143.25 26.56 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.09 162.16 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.1 0.476 . . . . 25.0 110.151 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -77.76 159.25 29.18 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.7 m -65.31 -19.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.659 0.266 . . . . 50.0 111.219 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -86.4 -7.24 58.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.767 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.306 1.1 mp0 -63.69 141.04 58.91 Favored 'General case' 0 CA--C 1.449 -2.934 0 N-CA-C 117.889 2.551 . . . . 25.0 117.889 170.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.3 -46.59 66.01 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-N 111.365 -2.652 . . . . 25.0 112.506 -174.412 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.14 77.75 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.445 -0.798 . . . . 25.0 112.418 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 18' ' ' VAL . 96.9 t -82.13 -53.19 12.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 118.155 0.977 . . . . 50.0 108.68 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -49.45 -48.27 47.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -30.06 70.7 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.68 -27.98 24.99 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.6 -59.57 4.13 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -65.66 -35.83 81.91 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.44 -48.65 80.2 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.38 79.28 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.0 OUTLIER -71.85 -40.88 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -173.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.43 -36.69 93.72 Favored Glycine 0 N--CA 1.436 -1.336 0 N-CA-C 108.758 -1.737 . . . . 25.0 108.758 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.3 tt0 -85.61 -28.0 25.09 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.163 0.982 . . . . 25.0 111.895 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -87.06 -63.08 1.36 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.629 1.715 . . . . 25.0 115.629 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -84.17 -53.4 5.54 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 112.255 -2.248 . . . . 25.0 111.626 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.66 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.078 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.69 -32.21 65.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -75.62 153.67 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.172 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.05 53.72 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.79 0.805 . . . . 25.0 108.909 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -66.04 131.28 45.83 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.81 -12.77 60.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.283 0.564 . . . . 25.0 110.71 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -121.01 165.96 14.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.55 112.4 22.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.057 -0.657 . . . . 25.0 109.998 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -110.97 139.37 46.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -144.34 166.11 26.01 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.84 102.08 4.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 101.146 -3.649 . . . . 25.0 101.146 170.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.46 -46.47 82.97 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.709 0.766 . . . . 25.0 110.438 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -157.53 130.5 7.6 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.882 -1.508 . . . . 25.0 108.858 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.35 131.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.6 t -92.9 -44.07 13.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.919 -1.037 . . . . 50.0 108.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -141.48 148.51 39.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 116.11 6.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.47 167.1 29.9 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 152.05 32.77 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.991 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.0 tt0 -98.67 129.59 45.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.76 129.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.92 -165.05 37.41 Favored Glycine 0 C--O 1.227 -0.338 0 N-CA-C 109.513 -1.435 . . . . 25.0 109.513 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.3 -20.25 65.96 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.199 0.524 . . . . 25.0 110.407 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.76 136.57 9.75 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 105.036 -3.225 . . . . 25.0 105.036 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.48 134.78 57.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.31 123.33 20.27 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.53 134.14 38.73 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.6 m-85 -123.22 114.4 20.21 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.39 132.35 54.33 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -119.76 133.68 55.52 Favored 'General case' 0 CA--C 1.474 -1.953 0 CA-C-O 123.517 1.627 . . . . 25.0 106.959 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -142.53 138.98 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 110.014 -3.267 . . . . 50.0 118.851 -168.862 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.7 137.16 32.57 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.887 -1.961 . . . . 25.0 108.048 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -113.72 155.69 25.14 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.208 1.004 . . . . 25.0 113.629 174.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.57 134.29 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 106.279 -2.728 . . . . 25.0 106.279 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -91.24 142.48 27.67 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 117.949 0.875 . . . . 25.0 111.366 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -115.98 153.4 31.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.127 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -93.01 0.07 57.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.09 155.8 17.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.722 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 9.1 p -141.43 178.7 7.25 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -175.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -59.55 -24.01 63.35 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 115.77 1.767 . . . . 25.0 115.77 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER -106.9 -14.46 14.96 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 117.2 2.296 . . . . 25.0 117.2 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.722 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.2 mm100 -64.08 153.53 84.91 Favored Pre-proline 0 C--N 1.298 -1.65 0 CA-C-N 112.101 -2.318 . . . . 25.0 111.251 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.72 163.56 36.95 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 121.32 1.347 . . . . 25.0 114.136 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 56.12 56.02 6.27 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 116.649 2.092 . . . . 25.0 116.649 173.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.35 -10.75 26.49 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -41.95 17.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.983 1.373 . . . . 25.0 109.308 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -84.26 -36.37 22.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 114.356 -1.293 . . . . 25.0 113.551 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -60.02 -56.69 33.05 Favored Pre-proline 0 C--O 1.218 -0.581 0 C-N-CA 119.464 -0.894 . . . . 25.0 111.521 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.24 -27.13 41.4 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 115.2 -2.733 . . . . 25.0 114.554 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -57.37 -40.05 77.33 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -84.76 -19.6 32.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.674 0.991 . . . . 25.0 113.674 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.81 -55.88 28.75 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 118.58 0.627 . . . . 25.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -51.09 -55.91 24.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.26 -21.03 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 114.068 -3.488 . . . . 25.0 114.898 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -70.05 -39.23 75.84 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.537 -0.727 . . . . 25.0 109.989 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.85 83.12 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.347 1.07 . . . . 25.0 113.656 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -81.76 -12.45 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 168.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -82.95 73.3 10.0 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.859 -1.534 . . . . 25.0 106.859 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -76.82 109.93 11.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.49 143.39 49.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -124.35 145.94 49.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.25 1.024 . . . . 25.0 112.282 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD13 ' A' ' 68' ' ' LEU . 72.0 m -127.58 154.86 44.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.093 -1.412 . . . . 25.0 109.576 174.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -129.9 131.01 45.89 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.51 127.48 49.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -122.31 115.48 22.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 108.709 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 33.9 mt -113.65 116.93 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -90.27 123.8 34.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.05 135.22 45.13 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 104.894 -2.262 . . . . 25.0 104.894 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.41 103.27 30.26 Favored Pre-proline 0 N--CA 1.433 -1.32 1 N-CA-C 95.589 -5.708 . . . . 50.0 95.589 -171.234 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.24 -23.53 13.33 Favored 'Trans proline' 0 N--CA 1.454 -0.829 1 C-N-CA 106.543 -8.505 . . . . 25.0 113.484 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.2 -19.93 63.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.671 -1.149 . . . . 25.0 112.954 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -119.16 1.1 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.718 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.94 27.93 72.84 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-O 122.4 1.0 . . . . 25.0 112.527 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.08 167.67 16.42 Favored 'General case' 0 CA--C 1.497 -1.076 0 C-N-CA 124.15 0.98 . . . . 25.0 108.82 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 23.0 ptt? -148.26 157.46 43.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.3 m -142.84 140.15 31.17 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.058 0.543 . . . . 25.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.0 113.39 4.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -84.01 -32.71 24.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.013 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -152.98 140.34 19.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.886 0.374 . . . . 25.0 111.112 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 127.19 27.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 103.073 -2.936 . . . . 25.0 103.073 171.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -138.85 148.17 43.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.98 170.79 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -136.5 143.02 43.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 175.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.37 149.82 24.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -145.9 145.5 25.27 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.28 -178.81 4.9 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 120.524 0.816 . . . . 25.0 113.076 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.37 -142.34 15.76 Favored Glycine 0 C--O 1.221 -0.701 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 54.37 62.71 8.2 Favored Pre-proline 0 N--CA 1.478 0.952 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -66.6 153.78 76.75 Favored 'Trans proline' 0 C--O 1.248 1.004 0 C-N-CA 116.059 -2.161 . . . . 25.0 111.103 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.9 147.93 75.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 O-C-N 122.208 0.583 . . . . 25.0 112.417 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.77 156.13 19.98 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.584 0.23 . . . . 25.0 111.441 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.56 67.01 1.52 Allowed 'General case' 0 CA--C 1.456 -2.638 0 CA-C-O 122.649 1.214 . . . . 25.0 108.499 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -148.8 137.51 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.171 0 CA-C-N 112.744 -2.026 . . . . 50.0 110.257 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.95 -176.39 42.42 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.399 -0.429 . . . . 25.0 113.805 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.11 -98.36 2.04 Favored Glycine 0 CA--C 1.517 0.196 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.38 126.57 13.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 114.595 -3.137 . . . . 25.0 111.695 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -148.95 149.71 31.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.464 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 133.57 39.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.792 -2.67 . . . . 25.0 103.792 167.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.22 165.38 11.42 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.023 -2.954 . . . . 25.0 103.023 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.68 155.39 26.81 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 104.684 -2.339 . . . . 25.0 104.684 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.1 m -67.17 -16.43 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.586 0.232 . . . . 50.0 111.14 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.8 -11.77 43.95 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.644 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.3 0.5 OUTLIER -52.41 140.27 22.64 Favored 'General case' 0 CA--C 1.441 -3.219 0 N-CA-C 119.706 3.225 . . . . 25.0 119.706 170.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.52 -41.07 80.14 Favored 'General case' 0 N--CA 1.411 -2.396 0 CA-C-N 112.517 -2.128 . . . . 25.0 110.153 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.41 -23.4 75.09 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 114.603 -1.181 . . . . 25.0 112.739 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 18' ' ' VAL . 94.4 t -88.7 -53.14 10.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 118.648 1.224 . . . . 50.0 111.223 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -50.7 -45.24 58.25 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 118.934 0.788 . . . . 25.0 112.82 -176.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.54 70.56 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.53 -29.29 24.32 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.714 -1.217 . . . . 25.0 107.714 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.51 -58.11 7.3 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 109.473 -0.565 . . . . 25.0 109.473 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.45 -32.99 73.39 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.13 -44.96 86.96 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.928 -0.768 . . . . 25.0 108.928 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.27 78.11 Favored 'General case' 0 C--O 1.208 -1.099 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.259 1.0 OUTLIER -77.24 -36.62 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.189 0 N-CA-C 105.327 -2.101 . . . . 50.0 105.327 -175.261 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.49 -35.12 91.62 Favored Glycine 0 C--O 1.199 -2.082 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 60.6 tt0 -85.46 -28.59 24.94 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 122.015 0.912 . . . . 25.0 111.849 -176.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.31 -63.11 1.35 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.84 1.793 . . . . 25.0 115.84 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -84.56 -53.62 5.28 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.222 -2.263 . . . . 25.0 111.654 -171.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.41 -31.37 70.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.824 -0.625 . . . . 25.0 110.135 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.07 -32.0 66.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.3 m -79.81 159.64 26.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.218 -0.901 . . . . 25.0 110.324 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.48 58.17 4.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.062 0.934 . . . . 25.0 109.679 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -65.5 128.95 37.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -77.38 -12.7 59.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.743 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -126.04 163.79 22.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.939 -0.764 . . . . 25.0 108.939 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.99 112.39 20.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 m -118.31 147.91 43.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HE ' HG21 ' A' ' 71' ' ' THR . 8.4 ttm-85 -149.5 158.19 43.95 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.717 -0.393 . . . . 25.0 111.983 -175.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.96 102.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 102.735 -3.061 . . . . 25.0 102.735 167.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.91 -45.2 75.06 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 121.935 0.874 . . . . 25.0 111.073 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.43 136.44 8.47 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.975 -1.466 . . . . 25.0 108.185 -171.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.32 131.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.994 0.902 . . . . 50.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -86.33 -45.71 16.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.19 -0.914 . . . . 50.0 108.629 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -143.75 139.91 29.67 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -140.37 119.32 12.64 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.176 -2.157 . . . . 25.0 105.176 175.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.42 168.12 26.51 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.799 -173.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.42 164.81 25.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.505 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.21 137.44 47.58 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 171.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -127.56 137.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.8 -156.36 28.04 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.136 -1.986 . . . . 25.0 108.136 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.01 66.98 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.44 0.62 . . . . 25.0 109.73 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.78 137.11 10.31 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 105.352 -3.099 . . . . 25.0 105.352 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.13 134.66 60.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 106.93 -1.508 . . . . 50.0 106.93 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.73 132.66 46.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.823 -0.548 . . . . 25.0 110.425 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -107.47 113.82 27.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 83.9 m-85 -102.64 117.06 33.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -119.62 110.74 17.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -104.87 130.14 53.07 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.135 -2.172 . . . . 25.0 105.135 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 49' ' ' VAL 0.347 0.9 OUTLIER -140.65 134.57 33.7 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.3 0 N-CA-C 121.757 3.984 . . . . 50.0 121.757 -165.469 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -90.21 137.37 32.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 112.961 -1.927 . . . . 25.0 106.95 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.2 mp -114.37 156.76 23.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.75 172.03 43.54 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 104.538 -3.425 . . . . 25.0 104.538 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -109.7 142.49 40.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 104.331 -2.47 . . . . 25.0 104.331 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.478 HG21 ' HE ' ' A' ' 45' ' ' ARG . 46.8 p -99.89 142.77 30.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.765 -0.374 . . . . 25.0 111.401 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -73.44 -25.22 60.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.14 169.51 10.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.808 0.813 . . . . 25.0 111.865 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.651 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -132.73 178.05 7.16 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.007 -0.997 . . . . 25.0 110.834 -173.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -58.62 -25.17 62.39 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 116.213 1.931 . . . . 25.0 116.213 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.304 0.8 OUTLIER -108.41 -14.86 14.58 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 115.969 1.84 . . . . 25.0 115.969 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' A' ' 74' ' ' THR . 88.4 mm-40 -81.75 153.59 70.34 Favored Pre-proline 0 C--N 1.298 -1.672 0 CA-C-N 111.505 -2.588 . . . . 25.0 107.859 176.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.55 173.91 13.69 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 121.663 1.575 . . . . 25.0 115.31 -173.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 57.67 49.81 11.83 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 173.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.0 -14.15 32.6 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 -42.29 13.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.171 0.986 . . . . 25.0 109.604 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.99 -38.27 22.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.73 -57.72 20.5 Favored Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 119.697 -0.801 . . . . 25.0 110.929 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.39 -23.51 44.15 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 114.367 -3.289 . . . . 25.0 114.201 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.25 -37.16 86.15 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 118.187 0.449 . . . . 25.0 110.064 173.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -84.25 -30.07 25.97 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.68 -44.45 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.421 0.288 . . . . 25.0 110.816 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.51 -58.52 13.73 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.79 -12.34 32.64 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 114.962 -2.892 . . . . 25.0 115.327 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.15 -24.59 62.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.736 -0.602 . . . . 25.0 110.593 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.58 89.73 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.374 1.083 . . . . 25.0 112.597 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -74.02 -30.29 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.26 130.57 43.5 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -100.48 119.96 39.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.28 120.68 9.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.259 0.349 . . . . 25.0 110.924 -173.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -124.28 144.6 49.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 68' ' ' LEU . 97.4 m -113.97 160.04 19.26 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.597 1.559 . . . . 25.0 108.747 170.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 116' ' ' THR . 65.8 m -129.84 120.54 25.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -114.24 132.12 56.25 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -125.24 109.03 12.33 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.1 mt -97.97 119.18 45.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -90.39 125.22 35.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 105.42 -2.067 . . . . 25.0 105.42 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.33 135.26 44.26 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 104.44 -2.43 . . . . 25.0 104.44 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -103.79 102.8 33.2 Favored Pre-proline 0 CA--C 1.491 -1.298 1 N-CA-C 97.055 -5.165 . . . . 50.0 97.055 -171.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.95 -24.98 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.035 1 C-N-CA 106.592 -8.472 . . . . 25.0 114.02 -172.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.29 -22.69 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.913 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -119.59 2.85 11.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.98 29.02 74.28 Favored Glycine 0 N--CA 1.465 0.599 0 CA-C-O 122.586 1.103 . . . . 25.0 112.21 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.01 167.38 15.4 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.147 -1.026 . . . . 25.0 108.275 -174.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.4 ptt? -148.23 157.57 43.57 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 170.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -149.7 143.84 25.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.079 0.551 . . . . 25.0 110.207 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.44 115.63 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.743 0.782 . . . . 25.0 109.79 175.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -92.22 -29.3 16.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.457 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.92 145.11 28.49 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.95 116.47 6.19 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 98' ' ' SER . 0.6 OUTLIER -125.26 153.19 43.58 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 101.189 -3.634 . . . . 25.0 101.189 177.055 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 1.0 OUTLIER -148.04 -179.57 7.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.886 0.85 . . . . 25.0 112.732 -177.343 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.77 160.28 15.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.063 -1.88 . . . . 25.0 111.193 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.66 149.6 46.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.284 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.018 -0.991 . . . . 25.0 112.185 -178.591 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 118.996 -0.526 . . . . 25.0 109.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -70.58 131.34 88.09 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 102.671 -3.085 . . . . 25.0 102.671 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.12 141.7 36.67 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 115.515 -2.523 . . . . 25.0 115.251 -174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 164.86 27.4 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 109.007 -1.637 . . . . 25.0 109.007 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.26 146.88 10.84 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.248 1.024 . . . . 25.0 112.906 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.15 172.47 16.02 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 121.918 1.745 . . . . 25.0 111.395 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.83 153.29 78.68 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 116.481 -1.879 . . . . 25.0 111.866 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -66.73 -20.68 66.02 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.8 mt 43.8 52.65 6.41 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 124.291 1.996 . . . . 25.0 114.62 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.24 131.29 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 111.543 -2.571 . . . . 50.0 107.487 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.98 -18.07 9.82 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 115.878 -0.601 . . . . 25.0 112.365 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.91 -163.53 14.97 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.778 -0.725 . . . . 25.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.89 151.14 86.54 Favored 'Trans proline' 0 C--N 1.346 0.4 0 CA-C-N 118.952 1.376 . . . . 25.0 110.718 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.56 138.67 47.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.22 148.78 29.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 171.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.68 159.31 31.12 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.562 -2.385 . . . . 25.0 104.562 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 p -82.67 160.17 22.48 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.9 -13.29 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.603 0.716 . . . . 50.0 110.489 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -86.54 -22.7 26.19 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.879 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.9 mp0 -55.01 138.49 43.74 Favored 'General case' 0 CA--C 1.457 -2.633 1 N-CA-C 121.915 4.043 . . . . 25.0 121.915 172.336 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.16 -41.74 84.46 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 112.038 -2.346 . . . . 25.0 110.818 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.14 75.47 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.687 -1.142 . . . . 25.0 112.472 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.28 -47.29 15.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 118.197 0.999 . . . . 50.0 109.462 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -53.93 -43.22 69.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 118.855 0.752 . . . . 25.0 112.593 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.22 68.55 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.848 -0.741 . . . . 25.0 112.652 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.38 -34.46 21.75 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.2 mt -58.53 -62.66 1.69 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -68.62 -31.12 70.05 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 123.851 0.719 . . . . 25.0 109.796 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -45.3 84.59 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 27' ' ' LEU 0.268 1.2 t -76.68 -37.0 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.225 0 N-CA-C 105.551 -2.018 . . . . 50.0 105.551 -174.318 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.65 -36.74 93.69 Favored Glycine 0 C--O 1.207 -1.555 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.5 tt0 -85.25 -28.26 25.49 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.407 1.099 . . . . 25.0 111.95 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -86.77 -62.91 1.4 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 116.166 1.913 . . . . 25.0 116.166 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.26 -52.07 6.52 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.848 -1.978 . . . . 25.0 112.199 -172.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.8 -30.89 67.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.97 -178.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.43 -32.08 66.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -78.36 152.9 32.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.437 -0.802 . . . . 25.0 110.43 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -90.03 56.72 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.687 0.756 . . . . 25.0 108.999 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.27 129.48 39.89 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.41 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.9 mmm -69.54 -15.69 63.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.193 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -126.45 163.24 23.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -79.7 112.56 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m -121.8 145.24 48.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.093 -1.818 . . . . 25.0 106.093 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -156.29 166.62 32.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -72.98 102.43 3.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 170.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.28 -48.35 67.96 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.92 0.867 . . . . 25.0 111.851 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.83 130.7 13.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.022 -1.445 . . . . 25.0 108.894 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.85 129.49 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.92 -41.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.467 -0.788 . . . . 50.0 109.032 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -144.9 142.78 30.17 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.12 112.46 6.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.03 168.78 24.14 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 121.785 0.803 . . . . 25.0 113.022 -176.764 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 134.68 40.33 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.637 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -98.57 122.06 41.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 105.569 -2.011 . . . . 25.0 105.569 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.04 141.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.56 -167.09 39.93 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 107.147 -2.381 . . . . 25.0 107.147 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -24.56 67.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.83 0.815 . . . . 25.0 109.49 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.95 138.4 11.7 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 103.458 -3.857 . . . . 25.0 103.458 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 132.31 58.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 107.49 -1.3 . . . . 50.0 107.49 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -126.65 126.23 43.22 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.861 -0.524 . . . . 25.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -93.25 130.73 38.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 104.035 -2.58 . . . . 25.0 104.035 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.0 m-85 -118.84 119.28 33.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.4 116.09 18.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 123.551 0.532 . . . . 25.0 109.664 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -112.24 140.52 46.87 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-O 123.435 1.588 . . . . 25.0 108.681 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.14 141.05 19.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 120.267 3.432 . . . . 50.0 120.267 -166.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -90.7 131.65 36.26 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.494 -1.684 . . . . 25.0 109.365 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -98.29 157.59 16.09 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.348 1.07 . . . . 25.0 110.927 177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.51 177.47 48.26 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 103.373 -3.891 . . . . 25.0 103.373 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -118.55 139.73 51.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -103.07 145.63 29.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.0 p -74.04 -23.82 59.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.379 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.88 167.33 10.59 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -93.77 164.86 12.96 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.133 1.444 . . . . 25.0 110.964 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -60.2 -26.62 66.51 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.398 -2.183 . . . . 25.0 115.193 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -103.17 -14.55 16.33 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 -178.595 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.7 151.92 60.11 Favored Pre-proline 0 C--N 1.298 -1.639 0 CA-C-N 112.995 -1.911 . . . . 25.0 115.94 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.58 17.46 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.719 2.279 . . . . 25.0 112.807 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -108.32 8.54 27.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -173.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.13 -10.6 2.87 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 118.599 2.815 . . . . 25.0 118.599 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.6 -42.32 10.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 120.27 1.395 . . . . 25.0 112.07 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -87.92 -25.26 23.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.176 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.84 -59.69 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.386 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.81 -23.34 26.11 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.254 -3.364 . . . . 25.0 113.741 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.89 -36.49 77.07 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.426 0.557 . . . . 25.0 110.444 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -83.55 -42.67 16.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.596 0.712 . . . . 25.0 111.481 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.28 -41.13 77.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -172.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.39 -55.79 36.08 Favored Pre-proline 0 C--O 1.239 0.527 0 CA-C-N 119.327 0.967 . . . . 25.0 111.395 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.07 -19.8 34.18 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 114.022 -3.519 . . . . 25.0 114.858 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -71.46 -33.04 68.98 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.096 -0.377 . . . . 25.0 111.406 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 105.17 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.686 0.755 . . . . 25.0 112.506 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.14 -32.34 33.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -76.66 132.02 39.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 104.08 -2.563 . . . . 25.0 104.08 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -126.73 133.1 50.95 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.823 -2.288 . . . . 25.0 104.823 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.57 140.29 31.67 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -124.26 139.65 53.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.645 0.736 . . . . 25.0 112.245 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.2 m -112.79 159.24 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.993 -1.003 . . . . 25.0 111.171 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -129.68 115.31 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.151 -0.931 . . . . 25.0 108.721 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -109.04 134.13 52.07 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -130.38 113.66 14.61 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.7 mt -101.66 120.36 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -90.21 126.38 35.8 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.2 135.01 46.47 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.55 103.57 24.82 Favored Pre-proline 0 CA--C 1.491 -1.306 1 N-CA-C 97.314 -5.069 . . . . 50.0 97.314 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.44 -20.08 16.35 Favored 'Trans proline' 0 N--CA 1.451 -1.007 1 C-N-CA 106.488 -8.542 . . . . 25.0 115.016 -169.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.89 -28.34 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -115.38 -2.04 12.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.42 16.19 75.47 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 111.461 -0.656 . . . . 25.0 111.461 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -100.34 167.29 10.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.415 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.8 ptp -148.15 157.4 43.48 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 170.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -144.01 141.37 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.455 0.702 . . . . 25.0 110.102 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.67 115.74 6.16 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -90.94 -31.11 16.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.449 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -147.67 142.28 26.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 t -144.97 114.45 7.15 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 103.699 -2.704 . . . . 25.0 103.699 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -133.67 146.65 51.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.6 m -148.08 171.46 15.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 25.0 111.739 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -123.65 151.64 42.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -71.93 140.64 49.31 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.276 1.214 . . . . 25.0 114.276 -175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.566 -0.73 . . . . 25.0 109.591 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.5 0.19 . . . . 25.0 110.656 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -145.17 166.74 16.67 Favored Pre-proline 0 C--O 1.239 0.513 0 N-CA-C 101.863 -3.384 . . . . 25.0 101.863 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -67.4 147.02 76.84 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 114.612 -3.125 . . . . 25.0 114.035 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.67 142.63 30.22 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.078 -0.964 . . . . 25.0 112.709 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -165.27 161.0 14.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 103.966 -2.605 . . . . 25.0 103.966 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -66.73 154.8 73.21 Favored 'Trans proline' 0 C--O 1.238 0.515 0 C-N-CA 116.049 -2.167 . . . . 25.0 111.846 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 146.75 62.46 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.053 -1.498 . . . . 25.0 112.408 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -117.99 106.06 12.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 25.0 109.844 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.64 107.49 11.55 Favored 'General case' 0 CA--C 1.471 -2.081 0 CA-C-O 123.069 1.414 . . . . 25.0 110.762 176.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -140.49 151.28 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.702 0 CA-C-N 111.636 -2.529 . . . . 50.0 105.614 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.19 166.1 40.1 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 108.623 -1.791 . . . . 25.0 108.623 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 -172.43 41.83 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.428 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.28 145.42 18.99 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 118.309 1.054 . . . . 25.0 114.673 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.2 ptp -148.85 137.11 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.76 141.19 31.59 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.31 153.15 30.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -75.28 156.15 35.94 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.58 -17.46 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.14 -27.79 62.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.959 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.283 1.0 OUTLIER -58.74 133.26 55.79 Favored 'General case' 0 CA--C 1.429 -3.675 0 N-CA-C 120.528 3.529 . . . . 25.0 120.528 176.615 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.15 -27.11 67.77 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 113.451 -1.704 . . . . 25.0 112.319 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.12 74.58 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.152 -0.779 . . . . 25.0 111.152 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.44 -48.15 15.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.255 0 CA-C-N 117.355 0.577 . . . . 50.0 110.064 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -53.19 -42.28 66.09 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.923 0.489 . . . . 25.0 111.982 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -26.97 68.31 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.48 -33.03 21.94 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.09 -62.9 1.43 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.58 -33.71 74.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.505 0.503 . . . . 25.0 111.124 -173.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.49 -48.83 75.99 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.23 86.03 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.2 t -76.34 -36.55 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 105.891 -1.892 . . . . 50.0 105.891 -174.254 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.49 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.61 -35.75 92.45 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 107.962 -2.055 . . . . 25.0 107.962 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 76.9 tt0 -85.22 -28.67 25.25 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.232 1.015 . . . . 25.0 111.924 -176.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -86.73 -62.91 1.4 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -84.3 -52.55 6.13 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 112.269 -2.241 . . . . 25.0 112.182 -171.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -70.42 -30.71 67.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.992 -178.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.05 -32.18 66.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -75.02 155.97 36.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.945 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -95.55 51.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.436 0.636 . . . . 25.0 109.953 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -66.13 131.14 45.5 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.465 0.65 . . . . 25.0 109.598 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.6 mmt -70.07 -19.58 63.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.577 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -112.43 163.64 14.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -102.17 143.06 32.45 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -144.27 155.0 43.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.292 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.83 102.35 5.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 101.394 -3.558 . . . . 25.0 101.394 168.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.78 -45.62 74.34 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -151.31 129.41 11.85 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.2 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.23 126.46 39.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.45 -47.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -146.97 145.09 29.64 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.24 115.08 9.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.09 167.98 26.74 Favored 'General case' 0 CA--C 1.487 -1.443 0 CA-C-O 121.972 0.891 . . . . 25.0 112.58 -171.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.09 153.88 50.44 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 113.84 -1.527 . . . . 25.0 109.174 -175.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.71 119.0 26.81 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 105.365 -2.087 . . . . 25.0 105.365 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.1 mt -105.71 132.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 25.0 110.338 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.56 -154.91 9.52 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 106.808 -2.517 . . . . 25.0 106.808 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.17 70.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.877 0.839 . . . . 25.0 109.072 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.68 155.54 16.1 Favored Glycine 0 N--CA 1.446 -0.646 1 N-CA-C 102.773 -4.131 . . . . 25.0 102.773 173.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.87 134.33 64.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -127.34 129.36 47.48 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.093 -0.379 . . . . 25.0 110.857 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -104.72 135.05 46.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.428 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 29.1 m-85 -117.82 124.76 49.16 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.32 116.03 19.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -114.19 135.28 54.22 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 123.244 1.497 . . . . 25.0 109.14 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.3 141.7 19.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 N-CA-C 121.264 3.801 . . . . 50.0 121.264 -165.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -90.36 130.87 36.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.367 -1.742 . . . . 25.0 108.931 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.33 152.29 21.73 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.356 1.074 . . . . 25.0 112.085 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.76 169.59 42.56 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 104.388 -3.485 . . . . 25.0 104.388 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -112.98 139.31 48.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -112.74 148.68 34.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.011 0.434 . . . . 25.0 111.197 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -71.98 -29.24 64.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.858 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.77 165.68 11.08 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 p -105.54 174.83 5.71 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.937 -1.483 . . . . 25.0 108.119 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -60.32 -24.4 64.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.288 0.8 OUTLIER -104.79 -14.36 15.56 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 118.661 2.837 . . . . 25.0 118.661 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.44 147.5 48.81 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 112.508 -2.133 . . . . 25.0 113.04 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.6 28.38 0.41 Allowed 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.692 2.928 . . . . 25.0 113.808 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -129.82 9.99 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -172.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.82 -14.79 1.54 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 120.893 3.664 . . . . 25.0 120.893 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -42.27 10.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 120.806 1.639 . . . . 25.0 111.188 175.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -84.4 -30.59 25.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.199 -0.909 . . . . 25.0 112.318 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -60.71 9.7 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.536 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -70.54 -24.17 26.41 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 114.678 -3.082 . . . . 25.0 113.972 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.61 -37.19 77.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.374 0.534 . . . . 25.0 110.494 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -83.63 -43.14 15.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.348 0.594 . . . . 25.0 111.633 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.58 -44.45 74.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -57.57 -50.94 85.31 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 119.053 0.842 . . . . 25.0 112.601 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.08 -18.15 27.62 Favored 'Trans proline' 0 CA--C 1.541 0.852 1 C-N-CA 113.13 -4.113 . . . . 25.0 114.67 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -68.58 -28.19 66.72 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.608 -0.682 . . . . 25.0 110.197 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.57 80.36 1.08 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.929 0.871 . . . . 25.0 109.444 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -33.52 65.99 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -89.3 133.87 34.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 101.482 -3.525 . . . . 25.0 101.482 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.02 142.21 51.6 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.14 143.22 49.68 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.25 134.22 53.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.654 0.74 . . . . 25.0 109.114 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.45 158.04 28.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.523 -1.217 . . . . 25.0 110.058 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -129.78 131.03 46.09 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -118.96 132.44 56.08 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -123.27 112.56 17.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.318 -0.855 . . . . 25.0 108.8 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.69 118.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -90.3 127.86 36.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.275 -2.12 . . . . 25.0 105.275 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -105.63 134.44 48.74 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.64 103.05 29.97 Favored Pre-proline 0 C--N 1.309 -1.155 1 N-CA-C 96.547 -5.353 . . . . 50.0 96.547 -171.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.21 -23.05 13.83 Favored 'Trans proline' 0 N--CA 1.452 -0.913 1 C-N-CA 106.711 -8.393 . . . . 25.0 114.743 -168.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -62.63 -21.22 65.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 25.0 113.942 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.07 -4.47 12.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.693 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.52 75.63 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -105.34 167.08 9.97 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.9 ptp -148.13 157.69 43.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.7 m -142.78 140.74 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.105 0.562 . . . . 25.0 110.21 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -66.2 112.79 4.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 t -84.41 -32.05 24.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.359 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -154.36 142.85 20.67 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.188 0.518 . . . . 25.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 p -133.36 127.45 33.53 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 101.891 -3.374 . . . . 25.0 101.891 170.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -138.0 145.09 41.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 104.123 -2.547 . . . . 25.0 104.123 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.04 172.89 13.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -129.52 154.0 47.45 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.38 145.84 26.71 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.461 -1.257 . . . . 25.0 108.282 178.146 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p -161.84 169.19 9.88 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.22 165.21 27.47 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 116.717 -1.722 . . . . 25.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.08 112.93 4.26 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 114.792 0.677 . . . . 25.0 114.792 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -131.57 68.47 81.01 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 121.822 0.82 . . . . 25.0 110.056 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.59 156.76 64.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 120.46 0.774 . . . . 25.0 112.272 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.18 152.3 72.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 117.052 -1.498 . . . . 25.0 112.242 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -67.85 137.58 55.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -101.04 60.82 0.94 Allowed 'General case' 0 CA--C 1.452 -2.825 0 CA-C-O 123.301 1.524 . . . . 25.0 110.043 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.11 123.22 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.287 0 CA-C-N 111.631 -2.531 . . . . 50.0 107.657 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.73 -149.41 41.52 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 109.924 -1.27 . . . . 25.0 109.924 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.29 -74.98 0.16 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 114.379 0.512 . . . . 25.0 114.379 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -73.68 145.56 37.19 Favored 'Trans proline' 0 C--N 1.343 0.268 0 CA-C-N 119.197 1.498 . . . . 25.0 115.676 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.91 146.83 28.07 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.5 149.63 23.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.04 158.59 38.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.823 -1.917 . . . . 25.0 105.823 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -78.7 161.88 26.58 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.61 -15.82 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.251 0.548 . . . . 50.0 111.0 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.7 -25.91 37.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.867 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 2.5 mp0 -50.3 135.99 20.76 Favored 'General case' 0 CA--C 1.452 -2.82 1 N-CA-C 122.514 4.264 . . . . 25.0 122.514 173.157 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -59.88 -35.11 74.14 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 112.491 -2.141 . . . . 25.0 110.607 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -24.3 76.87 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.25 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.2 t -88.42 -47.91 15.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-N 118.083 0.942 . . . . 50.0 110.697 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -54.15 -38.58 65.65 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -28.43 69.61 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 119.382 -0.927 . . . . 25.0 111.952 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.75 20.03 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 mt -55.97 -62.94 1.36 Allowed 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.5 -31.96 70.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.922 0.764 . . . . 25.0 110.274 -170.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.85 -47.75 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.81 88.52 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 31' ' ' VAL 0.292 1.0 OUTLIER -73.2 -39.31 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 105.017 -2.216 . . . . 50.0 105.017 -173.814 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.2 -37.4 94.46 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 108.6 -1.8 . . . . 25.0 108.6 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 82.9 tt0 -85.41 -29.43 24.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 122.131 0.967 . . . . 25.0 112.05 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -87.09 -62.86 1.41 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 123.791 1.757 . . . . 25.0 115.623 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -84.33 -51.74 6.74 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.206 -2.27 . . . . 25.0 112.106 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -71.41 -30.66 66.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.059 -0.518 . . . . 25.0 109.714 -178.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.78 -32.14 67.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -79.47 155.15 28.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.846 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -101.32 51.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.436 0.636 . . . . 25.0 110.284 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.21 126.6 29.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.33 -0.618 . . . . 25.0 109.33 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.66 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.637 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -99.36 148.92 23.68 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.56 112.5 23.1 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.139 -1.424 . . . . 25.0 113.085 -171.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -95.58 147.66 23.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 104.62 -2.363 . . . . 25.0 104.62 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -158.9 165.62 33.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.35 102.59 5.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.186 -2.894 . . . . 25.0 103.186 171.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.07 -43.53 34.02 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.829 0.824 . . . . 25.0 111.737 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -151.09 125.58 9.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.481 -1.236 . . . . 25.0 108.533 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.12 131.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.05 -43.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.611 -0.722 . . . . 50.0 109.055 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.73 139.99 33.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.02 109.98 6.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.57 168.81 24.34 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 121.251 0.548 . . . . 25.0 112.476 -177.566 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.19 151.71 35.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.518 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.2 tt0 -99.08 129.55 45.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.5 mm -101.2 138.3 25.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.359 -1.719 . . . . 25.0 106.359 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.83 -164.75 34.87 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 110.355 -1.098 . . . . 25.0 110.355 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.37 66.59 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.239 0.542 . . . . 25.0 109.959 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.86 11.16 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 104.379 -3.489 . . . . 25.0 104.379 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.06 114.98 47.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 118.032 0.916 . . . . 50.0 108.838 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.33 118.81 36.87 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.098 -0.376 . . . . 25.0 110.027 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -91.62 133.54 35.46 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 94.1 m-85 -123.34 117.6 25.62 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.11 116.05 17.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.886 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -111.98 139.26 47.63 Favored 'General case' 0 CA--C 1.48 -1.733 0 CA-C-O 123.411 1.577 . . . . 25.0 108.753 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 HG22 ' A' ' 49' ' ' VAL 0.338 0.9 OUTLIER -141.69 133.44 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 N-CA-C 120.637 3.569 . . . . 50.0 120.637 -168.277 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.54 135.93 33.39 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 112.858 -1.974 . . . . 25.0 107.782 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.1 mp -115.77 143.54 45.24 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.23 165.34 30.79 Favored Glycine 0 N--CA 1.439 -1.136 1 N-CA-C 102.965 -4.054 . . . . 25.0 102.965 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -125.78 133.08 52.15 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -88.64 142.88 27.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.3 p -75.82 -17.81 59.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.494 0.664 . . . . 25.0 109.562 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.7 m -99.98 160.54 14.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.628 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -131.1 178.26 6.83 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.379 -172.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.35 -27.33 62.16 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.096 1.887 . . . . 25.0 116.096 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.307 0.8 OUTLIER -107.17 -15.35 14.69 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 116.17 1.915 . . . . 25.0 116.17 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.628 ' HB2' ' H ' ' A' ' 74' ' ' THR . 89.2 mm-40 -83.21 153.56 66.2 Favored Pre-proline 0 C--N 1.298 -1.661 0 CA-C-N 111.466 -2.606 . . . . 25.0 108.718 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.93 177.23 9.0 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 121.571 1.514 . . . . 25.0 114.875 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 61.79 41.9 11.22 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.63 -14.64 45.56 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -42.13 15.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 122.336 1.065 . . . . 25.0 109.525 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -86.9 -35.52 18.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.5 m -63.88 -58.97 12.61 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.607 -0.837 . . . . 25.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -65.31 -26.12 56.38 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.596 -3.136 . . . . 25.0 114.771 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.78 -40.05 82.84 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.539 0.609 . . . . 25.0 110.282 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -84.49 -30.05 25.51 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.33 -36.17 82.23 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.709 -0.619 . . . . 25.0 112.136 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.59 -55.26 44.17 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -21.72 58.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 114.649 -3.101 . . . . 25.0 114.443 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -70.23 -15.24 62.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 111.197 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.29 63.6 1.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.309 0.576 . . . . 25.0 110.716 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -68.49 -32.04 71.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 104.917 -2.253 . . . . 25.0 104.917 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -84.24 105.81 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.085 -2.191 . . . . 25.0 105.085 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.86 136.59 34.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 174.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -143.14 124.07 14.33 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -124.33 141.79 51.79 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 68' ' ' LEU . 95.1 m -98.74 160.13 14.48 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 125.334 1.454 . . . . 25.0 108.282 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -129.71 124.25 33.09 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -117.28 127.13 53.77 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.51 117.46 19.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mt -109.48 124.95 66.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -93.22 124.2 37.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.92 133.66 45.07 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 103.156 -2.905 . . . . 25.0 103.156 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -102.25 103.24 29.43 Favored Pre-proline 0 N--CA 1.436 -1.139 1 N-CA-C 95.47 -5.752 . . . . 50.0 95.47 -173.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.21 -24.03 12.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.52 -8.52 . . . . 25.0 114.417 -170.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -59.58 -28.93 67.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.589 -1.187 . . . . 25.0 113.474 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -108.34 -5.48 16.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.798 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.37 17.24 79.72 Favored Glycine 0 C--O 1.228 -0.268 0 CA-C-O 122.117 0.843 . . . . 25.0 111.452 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -109.91 167.36 10.22 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 33.3 mtt -148.11 157.45 43.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.1 m -142.0 137.63 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.011 0.524 . . . . 25.0 109.75 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.97 102.31 1.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -79.7 -30.65 41.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -146.13 132.16 19.27 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.06 0.457 . . . . 25.0 111.457 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 117.07 17.88 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 171.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.18 154.24 50.81 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.392 -2.447 . . . . 25.0 104.392 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.6 179.74 6.64 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.607 0.718 . . . . 25.0 111.495 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.438 ' H ' ' NE2' ' A' ' 118' ' ' GLN . 0.3 OUTLIER -106.53 160.09 15.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -170.555 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.39 151.63 44.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.452 -1.684 . . . . 25.0 106.452 170.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 117.95 -1.024 . . . . 25.0 109.858 178.57 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.202 -0.296 . . . . 25.0 110.202 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -70.47 147.49 94.92 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 104.402 -2.444 . . . . 25.0 104.402 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -69.78 169.45 18.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 117.345 -1.303 . . . . 25.0 112.785 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.63 26.24 47.17 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.791 -0.719 . . . . 25.0 113.814 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -122.01 61.46 13.52 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.28 173.3 14.56 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.746 1.631 . . . . 25.0 112.527 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.17 154.04 73.27 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.605 -3.13 . . . . 25.0 109.649 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -140.4 159.41 42.26 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.4 mt -130.72 120.78 24.35 Favored 'General case' 0 CA--C 1.478 -1.8 0 CA-C-O 123.165 1.459 . . . . 25.0 109.165 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.61 -40.22 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 110.969 -2.832 . . . . 50.0 109.808 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.8 143.74 11.38 Favored Glycine 0 C--O 1.225 -0.452 0 N-CA-C 108.569 -1.812 . . . . 25.0 108.569 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.08 -168.87 47.03 Favored Glycine 0 C--O 1.242 0.623 0 N-CA-C 110.662 -0.975 . . . . 25.0 110.662 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.4 143.81 15.71 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 117.149 -1.434 . . . . 25.0 113.057 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -148.91 150.25 32.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.97 147.54 22.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 150.69 43.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 103.122 -2.918 . . . . 25.0 103.122 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.0 p -78.99 158.34 27.96 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.962 -0.563 . . . . 25.0 109.652 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.87 -15.42 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.511 0.672 . . . . 50.0 110.463 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -82.54 -25.98 32.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.006 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.301 2.6 mp0 -53.43 132.14 39.22 Favored 'General case' 0 CA--C 1.432 -3.57 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.39 -24.89 63.93 Favored 'General case' 0 N--CA 1.406 -2.666 0 C-N-CA 117.352 -1.739 . . . . 25.0 111.075 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.7 -23.25 73.93 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.771 -0.932 . . . . 25.0 110.771 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -88.58 -44.64 15.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -53.3 -42.85 67.03 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.53 69.37 Favored 'General case' 0 C--O 1.198 -1.616 0 C-N-CA 119.84 -0.744 . . . . 25.0 112.831 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.49 -32.71 22.09 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.91 -62.77 1.57 Allowed 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.23 -33.43 75.34 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.915 0.759 . . . . 25.0 110.477 -173.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.62 -49.66 74.34 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.47 76.58 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -75.9 -36.67 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.951 -1.87 . . . . 50.0 105.951 -173.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -60.93 -38.54 95.6 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 108.027 -2.029 . . . . 25.0 108.027 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 52.8 mt-10 -85.48 -26.79 26.08 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-O 122.818 1.294 . . . . 25.0 113.587 -176.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -87.11 -62.95 1.39 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 116.413 2.005 . . . . 25.0 116.413 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -83.67 -53.48 5.61 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 112.726 -2.034 . . . . 25.0 112.961 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.89 -31.82 71.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.957 -178.334 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -74.86 153.28 38.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.754 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -87.03 55.03 3.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.586 0.708 . . . . 25.0 110.195 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -67.03 129.36 39.65 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.856 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mtp -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.08 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -123.7 164.08 19.83 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -85.94 112.91 21.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 m -117.94 142.83 46.92 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.1 159.55 44.33 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.899 -0.321 . . . . 25.0 110.998 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.27 102.13 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 169.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.74 -49.56 45.6 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.756 0.789 . . . . 25.0 110.829 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -148.07 129.86 15.16 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 113.943 -1.481 . . . . 25.0 107.949 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.635 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.34 129.42 37.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.586 -1.264 . . . . 50.0 107.586 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -87.05 -44.02 16.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.058 -1.09 . . . . 50.0 108.058 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -142.99 140.62 31.1 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 117.86 12.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 106.884 -1.524 . . . . 25.0 106.884 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.63 167.77 27.8 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-O 121.596 0.712 . . . . 25.0 112.145 -172.627 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.73 143.06 33.33 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.649 -1.159 . . . . 25.0 110.324 -174.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -113.99 115.91 28.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.51 -2.404 . . . . 25.0 104.51 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.19 134.56 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.97 -160.19 25.62 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 108.58 -1.808 . . . . 25.0 108.58 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.79 68.61 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 117.687 0.744 . . . . 25.0 109.996 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.59 145.78 17.0 Favored Glycine 0 N--CA 1.448 -0.505 1 N-CA-C 101.119 -4.792 . . . . 25.0 101.119 172.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 83.5 t -121.6 132.68 70.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 CA-C-N 118.66 1.23 . . . . 50.0 108.075 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -125.88 136.24 52.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -105.66 137.42 43.54 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 104.251 -2.5 . . . . 25.0 104.251 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.42 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.5 m-85 -123.1 132.14 53.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.942 -2.244 . . . . 25.0 104.942 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -138.14 116.97 12.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -114.72 135.56 54.03 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 123.488 1.614 . . . . 25.0 108.508 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.66 141.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 120.869 3.655 . . . . 50.0 120.869 -164.389 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.02 136.58 33.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.498 -1.683 . . . . 25.0 108.599 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.57 149.46 32.71 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.124 0.964 . . . . 25.0 113.134 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.99 161.02 34.39 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 103.872 -3.691 . . . . 25.0 103.872 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -95.06 139.63 31.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 p -94.64 143.02 26.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -174.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.3 p -75.22 -17.75 60.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.96 154.89 18.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.617 0.723 . . . . 25.0 111.859 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.516 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 21.4 p -95.77 173.42 7.47 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 174.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -62.75 -17.0 60.2 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 115.659 1.725 . . . . 25.0 115.659 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.25 -14.29 13.84 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 119.013 2.968 . . . . 25.0 119.013 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 74' ' ' THR . 18.5 mm-40 -53.78 146.86 25.14 Favored Pre-proline 0 C--N 1.295 -1.79 0 CA-C-N 112.251 -2.25 . . . . 25.0 113.354 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.88 0.66 9.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 121.389 1.393 . . . . 25.0 115.519 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -123.2 40.0 3.82 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.987 1.477 . . . . 25.0 114.987 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.37 -14.19 25.58 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.916 1.821 . . . . 25.0 115.916 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -84.26 -42.23 16.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.051 0.929 . . . . 25.0 109.392 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -78.87 -39.02 36.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.54 -61.13 8.58 Favored Pre-proline 0 C--O 1.215 -0.737 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -67.34 -21.37 47.5 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 114.642 -3.105 . . . . 25.0 114.431 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.52 -38.27 90.43 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -83.55 -33.21 25.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.85 -42.66 99.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.916 0.486 . . . . 25.0 111.611 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.82 -56.18 38.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.45 -17.18 34.6 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 114.707 -3.062 . . . . 25.0 114.532 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.56 -29.09 69.07 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.6 85.59 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.291 0.567 . . . . 25.0 112.336 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -76.91 -32.73 57.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 173.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -95.22 136.02 36.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 101.515 -3.513 . . . . 25.0 101.515 171.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -127.12 148.37 50.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.93 136.79 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -124.24 138.35 54.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 40.2 m -104.58 159.77 15.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.664 -1.153 . . . . 25.0 111.367 172.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 m -129.82 118.14 21.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.62 136.68 51.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 51.9 tt0 -130.34 118.01 20.62 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.4 mt -107.2 120.31 58.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -90.44 123.17 33.94 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.473 -2.047 . . . . 25.0 105.473 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.71 133.61 44.92 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.537 -2.394 . . . . 25.0 104.537 178.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.89 103.09 31.33 Favored Pre-proline 0 CA--C 1.49 -1.363 1 N-CA-C 97.78 -4.896 . . . . 50.0 97.78 -171.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.41 -19.11 17.32 Favored 'Trans proline' 0 N--CA 1.45 -1.037 1 C-N-CA 106.571 -8.486 . . . . 25.0 114.716 -170.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.05 -29.03 59.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -117.22 -1.99 11.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.07 78.74 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-O 122.232 0.906 . . . . 25.0 111.365 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 p -101.63 167.25 10.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.109 0.964 . . . . 25.0 109.32 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.08 157.6 43.6 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 169.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 m -143.7 139.54 29.56 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.331 0.653 . . . . 25.0 109.461 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.4 114.21 4.65 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -88.83 -27.77 20.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.543 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 9.0 ttmt -152.15 138.1 18.11 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.83 107.97 5.48 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.746 -2.316 . . . . 25.0 104.746 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -130.92 148.83 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 2.4 t -155.59 178.24 10.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -116.58 150.88 37.31 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -66.56 137.15 56.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.643 0.201 . . . . 25.0 110.912 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.479 0 CA-C-O 117.583 -1.199 . . . . 25.0 110.32 -175.56 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.592 -0.151 . . . . 25.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m 45.95 52.27 10.92 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.92 -15.41 18.79 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 116.839 -1.641 . . . . 25.0 114.344 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.41 -143.57 27.24 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.055 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -145.61 139.65 15.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 106.64 -1.615 . . . . 25.0 106.64 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -66.58 146.99 81.25 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 115.276 -2.682 . . . . 25.0 110.829 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.36 -0.02 9.93 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 N-CA-C 115.942 1.478 . . . . 25.0 115.942 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -65.52 147.06 54.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.878 -0.514 . . . . 25.0 111.13 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -93.92 148.46 22.13 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -145.84 150.66 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 114.875 -1.057 . . . . 50.0 108.569 -171.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.97 162.43 24.73 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 103.757 -3.737 . . . . 25.0 103.757 175.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 -161.18 52.54 Favored Glycine 0 C--O 1.239 0.469 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -79.7 146.95 19.21 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 CA-C-N 119.443 1.622 . . . . 25.0 115.309 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ptm -148.91 139.98 23.03 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 140.97 31.69 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 173.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.32 163.84 15.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -69.32 144.73 53.43 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.582 ' HA ' HG11 ' A' ' 23' ' ' VAL . 11.4 m -68.65 -16.65 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.61 1.095 . . . . 50.0 109.013 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.05 -5.91 56.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.23 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.07 140.76 56.64 Favored 'General case' 0 CA--C 1.426 -3.809 0 N-CA-C 116.709 2.114 . . . . 25.0 116.709 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -70.3 -29.47 66.23 Favored 'General case' 0 N--CA 1.4 -2.927 0 C-N-CA 116.749 -1.981 . . . . 25.0 111.553 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.52 -24.93 73.91 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 110.122 -1.191 . . . . 25.0 110.122 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 18' ' ' VAL . 47.3 t -85.34 -47.79 16.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 CA-C-N 117.466 0.633 . . . . 50.0 110.617 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -48.36 -48.51 36.5 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.645 0.657 . . . . 25.0 112.542 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -28.35 69.64 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 112.883 0.698 . . . . 25.0 112.883 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB1' HD21 ' A' ' 64' ' ' LEU . . . -85.56 -34.13 21.56 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -176.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.5 mt -61.62 -56.19 22.48 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.5 -30.75 63.32 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.505 0.503 . . . . 25.0 110.04 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.61 -48.1 78.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.42 -47.87 66.07 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.271 1.1 t -74.65 -37.8 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 106.876 -1.528 . . . . 50.0 106.876 -174.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.0 -35.75 92.53 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 108.143 -1.983 . . . . 25.0 108.143 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 2.3 tt0 -85.52 -28.62 24.82 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.607 1.194 . . . . 25.0 111.752 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.82 -62.98 1.38 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 116.117 1.895 . . . . 25.0 116.117 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -84.22 -52.54 6.16 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 112.83 -1.986 . . . . 25.0 111.579 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -71.08 -28.91 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.668 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.9 -32.01 65.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -76.78 159.28 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -63.54 126.1 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.093 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.3 101.43 6.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -92.64 -35.18 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.528 0.68 . . . . 25.0 110.19 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -147.29 136.73 22.68 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.885 -3.006 . . . . 25.0 102.885 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 112.56 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.895 0.747 . . . . 25.0 109.941 -177.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -130.23 136.38 49.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -150.98 164.37 36.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.088 -0.383 . . . . 25.0 111.974 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.45 102.29 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.01 -47.81 27.23 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 122.174 0.988 . . . . 25.0 111.388 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -140.04 121.57 15.17 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 113.968 -1.469 . . . . 25.0 109.1 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.618 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.98 128.57 38.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.1 t -87.32 -44.1 15.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -144.66 146.61 32.34 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.96 115.84 8.77 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -148.37 162.42 39.59 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-O 121.503 0.668 . . . . 25.0 110.471 -173.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -131.77 164.87 25.06 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.801 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -131.05 118.56 20.74 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.461 -2.052 . . . . 25.0 105.461 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.02 131.23 53.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.615 -0.513 . . . . 25.0 109.615 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -157.98 17.31 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 106.759 -2.536 . . . . 25.0 106.759 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.6 -25.41 68.22 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.896 0.848 . . . . 25.0 110.038 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.16 154.06 16.82 Favored Glycine 0 N--CA 1.449 -0.493 1 N-CA-C 102.683 -4.167 . . . . 25.0 102.683 174.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.07 133.58 67.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 CA-C-N 118.602 1.201 . . . . 50.0 108.421 -176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -121.72 139.31 53.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -111.75 115.96 29.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.155 -1.795 . . . . 25.0 106.155 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.444 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.1 m-85 -106.78 120.93 43.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD21 ' HB1' ' A' ' 26' ' ' ALA . 1.4 mm? -121.29 132.01 54.55 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.72 131.01 56.13 Favored 'General case' 0 CA--C 1.482 -1.655 0 CA-C-O 123.754 1.74 . . . . 25.0 106.396 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.618 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.12 138.38 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 N-CA-C 121.424 3.861 . . . . 50.0 121.424 -166.207 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -94.59 119.0 32.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.339 -2.209 . . . . 25.0 105.905 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.95 140.94 29.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.942 -1.027 . . . . 25.0 108.649 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.74 179.16 27.69 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.852 -1.699 . . . . 25.0 108.852 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -132.03 163.46 28.37 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.329 0.252 . . . . 25.0 110.57 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -119.86 142.87 48.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 p -82.75 -20.09 36.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 25.0 110.444 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.39 160.31 14.44 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.989 0.899 . . . . 25.0 111.702 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -105.82 177.07 4.96 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.975 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.28 -22.97 63.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.266 0.8 OUTLIER -107.33 -14.41 14.89 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 117.558 2.429 . . . . 25.0 117.558 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -60.17 153.58 56.39 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 111.988 -2.369 . . . . 25.0 111.648 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.83 165.35 32.46 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 N-CA-C 113.492 0.535 . . . . 25.0 113.492 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.92 62.43 2.24 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.579 2.066 . . . . 25.0 116.579 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.87 -10.79 6.14 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -42.34 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.382 1.087 . . . . 25.0 110.7 177.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.89 -39.31 14.89 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.26 -54.12 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 119.769 -0.773 . . . . 25.0 111.015 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 87.7 Cg_endo -70.21 -23.02 29.2 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 113.892 -3.605 . . . . 25.0 114.21 177.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.9 -38.36 82.06 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 118.785 0.72 . . . . 25.0 109.442 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -84.64 -20.16 31.77 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 36.5 m-20 -71.7 -37.85 70.64 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.962 -0.462 . . . . 25.0 110.453 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.44 -54.79 47.1 Favored Pre-proline 0 N--CA 1.469 0.52 0 O-C-N 121.406 -0.809 . . . . 25.0 113.085 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -71.15 -11.44 28.93 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 115.391 -2.606 . . . . 25.0 114.268 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -73.78 -32.15 63.65 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.68 77.87 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.57 0.7 . . . . 25.0 109.723 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -13.62 59.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.525 0.678 . . . . 25.0 110.102 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -125.19 125.86 44.31 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 100.953 -3.721 . . . . 25.0 100.953 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -122.89 139.93 53.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 103.586 -2.746 . . . . 25.0 103.586 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.55 145.09 29.94 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 50.2 p90 -117.56 133.16 56.26 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -130.47 160.13 35.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.107 -1.406 . . . . 25.0 111.264 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -128.12 128.84 45.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -124.44 119.57 29.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.221 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -112.38 112.65 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.11 122.91 52.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 105.892 -1.892 . . . . 25.0 105.892 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -90.23 125.07 35.36 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 104.914 -2.254 . . . . 25.0 104.914 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.85 132.87 48.74 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 104.409 -2.441 . . . . 25.0 104.409 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.9 103.25 27.88 Favored Pre-proline 0 N--CA 1.434 -1.25 1 N-CA-C 97.258 -5.09 . . . . 50.0 97.258 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.4 -21.78 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.929 1 C-N-CA 106.464 -8.557 . . . . 25.0 115.108 -168.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -59.26 -32.08 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.262 -0.881 . . . . 25.0 112.71 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -107.68 -2.53 20.06 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.369 -0.207 . . . . 25.0 111.377 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.93 75.8 Favored Glycine 0 N--CA 1.459 0.205 0 CA-C-O 122.081 0.823 . . . . 25.0 111.714 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -101.76 167.48 10.06 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 12.5 ptm -148.21 157.47 43.51 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 170.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -149.22 140.69 23.34 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.217 0.607 . . . . 25.0 110.354 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.44 112.88 3.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.48 0.657 . . . . 25.0 110.155 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -88.7 -32.46 17.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.881 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -144.96 131.78 20.13 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.129 0.49 . . . . 25.0 110.03 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.57 118.78 18.65 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.195 -2.52 . . . . 25.0 104.195 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -135.3 148.39 49.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.52 172.52 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 5.7 mm-40 -118.05 160.18 21.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.959 -1.473 . . . . 25.0 109.093 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.79 151.64 41.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.315 0.646 . . . . 25.0 112.13 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 N-CA-C 103.816 -2.661 . . . . 25.0 103.816 174.395 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.805 -0.617 . . . . 25.0 110.052 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p 37.25 63.36 3.18 Favored Pre-proline 0 N--CA 1.481 1.12 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.59 154.27 59.9 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 116.852 -1.632 . . . . 25.0 112.557 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.02 -139.7 24.65 Favored Glycine 0 C--O 1.226 -0.391 0 N-CA-C 109.084 -1.606 . . . . 25.0 109.084 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.1 tttt 42.45 54.8 9.68 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.91 150.71 30.47 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.062 -1.492 . . . . 25.0 114.073 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.49 156.85 40.9 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 117.594 -1.137 . . . . 25.0 111.268 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -81.81 -23.0 36.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.03 -0.419 . . . . 25.0 111.399 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 67.15 5.99 4.5 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 124.229 1.011 . . . . 25.0 112.699 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -147.34 140.16 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.33 0 N-CA-C 104.736 -2.32 . . . . 50.0 104.736 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.26 -169.58 28.91 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.168 -1.573 . . . . 25.0 109.168 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.61 -166.15 37.57 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.66 152.31 69.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 116.949 -1.567 . . . . 25.0 111.599 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.1 ptm -138.96 142.59 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.24 147.4 28.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 174.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 155.76 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -74.73 153.96 38.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' HG11 ' A' ' 23' ' ' VAL . 19.5 m -65.5 -21.52 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.323 0.582 . . . . 50.0 109.523 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.3 -23.77 54.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.259 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.269 1.2 mp0 -52.45 134.74 34.53 Favored 'General case' 0 CA--C 1.428 -3.738 0 N-CA-C 118.446 2.758 . . . . 25.0 118.446 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -70.69 -24.18 62.62 Favored 'General case' 0 N--CA 1.403 -2.821 0 C-N-CA 116.686 -2.006 . . . . 25.0 111.897 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.77 -25.39 73.0 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.123 -1.191 . . . . 25.0 110.123 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.0 t -88.48 -47.01 15.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 117.44 0.62 . . . . 50.0 109.558 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -50.91 -46.02 60.59 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -25.37 68.15 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -36.5 20.32 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -62.1 2.02 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.32 -27.99 62.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.988 -170.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.33 -45.49 69.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.98 71.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.1 t -72.22 -39.7 64.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.117 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -61.77 -37.86 94.99 Favored Glycine 0 C--O 1.205 -1.682 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.0 tt0 -85.3 -28.0 25.57 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.429 1.109 . . . . 25.0 111.952 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -86.5 -63.01 1.38 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 123.856 1.789 . . . . 25.0 115.521 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -84.49 -51.61 6.78 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.216 -2.265 . . . . 25.0 112.682 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.53 -31.36 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.748 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.91 -32.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -77.27 152.07 34.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.832 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.67 53.73 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.616 0.722 . . . . 25.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -66.48 128.5 36.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.735 -0.666 . . . . 25.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.2 mtm -70.22 -19.45 63.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.631 -0.713 . . . . 25.0 110.774 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -116.78 164.67 14.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 177.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -109.38 137.31 47.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.17 160.01 41.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.446 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 102.24 1.63 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.5 -2.407 . . . . 25.0 104.5 170.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -48.1 56.67 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.958 0.885 . . . . 25.0 111.953 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -148.86 128.72 13.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.125 -1.398 . . . . 25.0 108.674 -171.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.78 131.09 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 t -91.91 -42.0 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 50.0 109.233 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -144.56 143.66 30.92 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.88 5.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 25.0 109.522 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -151.5 168.86 23.56 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.828 0.823 . . . . 25.0 113.204 -175.651 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 139.25 50.29 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.089 -1.414 . . . . 25.0 111.627 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -98.82 130.31 45.25 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.8 mt -98.94 138.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.765 -1.569 . . . . 25.0 106.765 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.05 -159.46 32.01 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 109.611 -1.395 . . . . 25.0 109.611 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.21 -1.21 16.82 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.835 0.826 . . . . 25.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -152.84 158.77 28.08 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 101.612 -4.595 . . . . 25.0 101.612 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.4 t -122.06 124.59 71.56 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 118.581 1.19 . . . . 50.0 109.025 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -110.61 124.0 51.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.099 0.476 . . . . 25.0 109.798 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -92.03 111.25 22.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 74.4 m-85 -98.54 117.01 32.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -128.5 114.31 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.493 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -109.28 138.64 45.32 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 123.219 1.485 . . . . 25.0 108.196 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -150.23 141.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 120.644 3.572 . . . . 50.0 120.644 -166.004 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -90.36 132.8 35.39 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.328 -1.76 . . . . 25.0 108.051 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.49 146.42 37.29 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.284 1.04 . . . . 25.0 111.064 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.94 158.16 29.44 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 105.527 -3.029 . . . . 25.0 105.527 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -87.71 128.5 35.3 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 105.045 -2.206 . . . . 25.0 105.045 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 p -92.51 149.98 21.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.384 0.611 . . . . 25.0 111.765 -175.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 p -76.74 -12.94 60.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.706 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.76 144.86 28.34 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.766 0.793 . . . . 25.0 109.017 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.46 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 17.8 p -90.69 175.71 6.93 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -62.67 -17.96 61.52 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -110.49 -14.74 14.04 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 118.951 2.945 . . . . 25.0 118.951 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.46 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.4 mm100 -53.12 147.5 17.19 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 112.495 -2.139 . . . . 25.0 114.425 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -83.74 10.23 3.77 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.112 1.875 . . . . 25.0 116.199 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -127.14 35.36 4.59 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.0 -10.56 6.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 117.87 2.544 . . . . 25.0 117.87 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -42.26 13.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.71 1.141 . . . . 25.0 109.644 173.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -79.73 -38.25 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.959 -1.019 . . . . 25.0 113.324 -174.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -59.07 -60.1 11.65 Favored Pre-proline 0 C--O 1.215 -0.749 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.942 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 74.3 Cg_endo -66.26 -23.18 52.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 114.749 -3.034 . . . . 25.0 113.77 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.44 -50.44 73.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -84.71 -19.51 32.64 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 88.5 m-20 -69.69 -34.74 74.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.231 -0.918 . . . . 25.0 109.944 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -57.26 -58.12 20.16 Favored Pre-proline 0 N--CA 1.47 0.566 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -66.82 -25.86 45.34 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 114.536 -3.176 . . . . 25.0 114.647 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -82.47 4.57 23.76 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.76 91.89 3.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.868 -0.789 . . . . 25.0 108.868 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -14.02 54.54 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.628 -0.715 . . . . 25.0 110.832 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -138.18 133.46 33.32 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -105.51 138.49 41.62 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -119.8 135.39 54.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.404 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 40.2 p90 -124.0 140.08 53.33 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 177.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.88 160.14 32.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.993 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.4 m -129.78 122.25 28.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -115.71 135.46 54.02 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.75 109.24 10.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.6 mt -100.41 120.39 49.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.56 121.95 32.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.23 135.79 41.12 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.25 -2.5 . . . . 25.0 104.25 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -100.82 103.28 23.64 Favored Pre-proline 0 C--O 1.252 1.212 1 N-CA-C 96.215 -5.476 . . . . 50.0 96.215 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.16 -21.43 15.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 106.672 -8.418 . . . . 25.0 114.299 -169.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -62.27 -18.63 61.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.367 1.247 . . . . 25.0 114.367 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -121.75 -2.5 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.54 14.96 75.14 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-O 121.914 0.73 . . . . 25.0 111.844 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -102.52 167.21 10.08 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.901 0.88 . . . . 25.0 108.877 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.3 ptt? -148.34 157.5 43.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 170.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -143.61 139.94 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.295 0.638 . . . . 25.0 109.999 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.1 114.97 5.64 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -89.83 -31.33 17.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.306 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.1 140.66 24.5 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 p -143.44 110.61 5.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.709 -2.33 . . . . 25.0 104.709 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -127.11 147.65 50.17 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.718 -1.956 . . . . 25.0 105.718 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.75 169.22 20.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 9.3 mm100 -115.93 158.2 23.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.646 -1.161 . . . . 25.0 108.64 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.42 151.52 23.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . . . . . . 0 C--O 1.246 0.912 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 119.294 -0.384 . . . . 25.0 110.153 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -147.55 149.48 34.18 Favored Pre-proline 0 C--O 1.237 0.405 0 N-CA-C 105.525 -2.028 . . . . 25.0 105.525 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.83 158.97 54.09 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 117.233 -1.378 . . . . 25.0 112.683 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.8 176.71 16.79 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 111.398 -0.681 . . . . 25.0 111.398 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -152.29 159.57 32.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -66.1 143.25 71.01 Favored 'Trans proline' 0 C--O 1.24 0.597 0 C-N-CA 115.333 -2.644 . . . . 25.0 113.139 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.45 153.46 30.86 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 118.529 -0.514 . . . . 25.0 112.863 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -80.7 -18.63 47.27 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt 63.91 25.27 13.93 Favored 'General case' 0 CA--C 1.462 -2.42 0 N-CA-C 113.614 0.968 . . . . 25.0 113.614 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -145.84 150.35 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 N-CA-C 103.539 -2.763 . . . . 50.0 103.539 167.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.33 -170.76 43.41 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 106.383 -2.687 . . . . 25.0 106.383 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.51 -176.33 29.44 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 109.686 -1.365 . . . . 25.0 109.686 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 85.8 Cg_endo -74.41 145.03 33.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 CA-C-N 119.186 1.493 . . . . 25.0 112.932 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ptm -148.65 155.57 41.23 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.12 143.85 26.89 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.66 158.3 25.77 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 107.496 -1.298 . . . . 25.0 107.496 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 155.93 39.52 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.0 m -67.85 -20.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.393 0.616 . . . . 50.0 109.81 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -70.77 -25.66 62.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.358 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.276 0.6 OUTLIER -55.21 137.45 47.15 Favored 'General case' 0 CA--C 1.448 -2.974 1 N-CA-C 122.34 4.2 . . . . 25.0 122.34 176.964 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.86 -34.44 74.6 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 112.475 -2.148 . . . . 25.0 112.206 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.73 77.74 Favored Glycine 0 C--O 1.222 -0.596 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.144 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.4 t -88.39 -54.55 7.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 CA-C-O 118.818 -0.61 . . . . 50.0 111.922 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtm105 -50.7 -44.87 58.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -28.7 68.4 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -35.49 21.1 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.4 mt -62.57 -58.93 5.78 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -66.04 -33.59 76.14 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -65.42 -47.96 74.43 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.8 79.21 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 31' ' ' VAL 0.264 1.1 t -77.22 -36.45 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 105.58 -2.007 . . . . 50.0 105.58 -174.347 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -64.21 -34.54 90.2 Favored Glycine 0 C--O 1.211 -1.308 0 N-CA-C 107.669 -2.172 . . . . 25.0 107.669 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 55.8 tt0 -85.67 -28.9 24.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 122.159 0.981 . . . . 25.0 112.02 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -87.47 -62.98 1.38 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 115.806 1.78 . . . . 25.0 115.806 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -83.98 -54.85 4.57 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 112.271 -2.24 . . . . 25.0 111.067 -170.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.604 -178.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.01 -32.16 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.6 m -77.16 156.05 31.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.784 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -90.11 54.97 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.561 0.696 . . . . 25.0 109.497 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -66.42 131.77 46.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.566 0.698 . . . . 25.0 109.687 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.15 -15.03 62.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.59 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -123.98 163.79 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -81.41 112.46 18.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.7 m -117.53 144.11 45.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.439 -0.949 . . . . 25.0 108.439 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -146.45 161.53 40.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.581 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -73.99 102.18 4.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 100.296 -3.964 . . . . 25.0 100.296 165.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.06 -50.46 54.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 121.809 0.814 . . . . 25.0 110.447 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -143.63 121.67 12.12 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 113.872 -1.513 . . . . 25.0 109.736 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.98 126.57 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 106.209 -1.775 . . . . 50.0 106.209 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 t -84.61 -45.33 17.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 106.572 -1.64 . . . . 50.0 106.572 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -146.21 147.01 31.0 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.857 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.66 120.46 13.48 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.04 165.25 22.59 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 113.537 0.939 . . . . 25.0 113.537 -171.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 140.91 21.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.53 -1.668 . . . . 25.0 109.842 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.6 tm0? -98.75 129.39 45.18 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mt -100.19 139.66 21.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.15 -155.68 26.24 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 108.763 -1.735 . . . . 25.0 108.763 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -23.89 63.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.467 0.634 . . . . 25.0 109.358 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 163.29 17.43 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 104.144 -3.582 . . . . 25.0 104.144 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -128.15 129.85 69.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 CA-C-N 118.416 1.108 . . . . 50.0 108.42 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -127.12 117.0 21.53 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.111 -0.368 . . . . 25.0 110.284 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -91.78 137.93 31.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -122.29 132.37 54.38 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -127.44 131.36 50.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -121.54 130.23 53.4 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 123.483 1.611 . . . . 25.0 107.382 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.06 143.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 121.476 3.88 . . . . 50.0 121.476 -165.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -92.18 129.64 38.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.343 -1.753 . . . . 25.0 109.464 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 150.92 22.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.253 1.025 . . . . 25.0 111.505 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.63 -178.95 44.9 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 104.136 -3.586 . . . . 25.0 104.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -123.93 144.19 49.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.6 p -95.47 142.84 27.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.5 p -77.97 -21.29 51.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.146 0.498 . . . . 25.0 110.385 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.4 p -99.7 179.36 4.56 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.788 0.804 . . . . 25.0 111.549 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 p -117.2 169.28 9.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.889 -1.05 . . . . 25.0 111.577 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -60.46 -24.05 64.93 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 115.595 1.702 . . . . 25.0 115.595 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.277 0.8 OUTLIER -104.69 -14.87 15.44 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 118.07 2.619 . . . . 25.0 118.07 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.37 153.29 69.59 Favored Pre-proline 0 C--N 1.298 -1.648 0 CA-C-N 112.525 -2.125 . . . . 25.0 114.256 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.0 17.38 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 122.666 2.244 . . . . 25.0 117.6 -173.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -131.73 32.96 4.05 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.3 1.593 . . . . 25.0 115.3 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.64 -15.93 13.89 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 118.76 2.874 . . . . 25.0 118.76 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -42.22 10.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 119.983 1.265 . . . . 25.0 111.479 176.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -88.39 -34.5 17.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -172.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -55.67 38.5 Favored Pre-proline 0 C--N 1.321 -0.673 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.379 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.8 Cg_endo -68.57 -25.66 34.53 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 113.491 -3.872 . . . . 25.0 113.489 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.66 -38.62 81.96 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.103 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -83.18 -27.5 30.0 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 21.1 m-20 -68.89 -37.56 79.1 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.754 -0.591 . . . . 25.0 112.019 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -54.44 -57.23 19.61 Favored Pre-proline 0 C--N 1.323 -0.556 0 C-N-CA 119.277 -0.969 . . . . 25.0 111.876 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.36 -20.1 37.15 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 114.738 -3.042 . . . . 25.0 115.039 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 17.2 t-160 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.742 -0.599 . . . . 25.0 109.801 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 103.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.455 0.645 . . . . 25.0 111.409 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -32.38 60.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -87.53 134.68 33.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -116.38 110.03 18.13 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.13 141.18 28.88 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 103.72 -2.696 . . . . 25.0 103.72 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -122.46 139.5 53.8 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.15 157.04 46.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.234 -0.893 . . . . 25.0 111.612 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -129.74 128.69 42.97 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -121.42 137.4 54.73 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -130.26 122.44 28.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.78 118.09 57.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -90.29 126.11 35.73 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.79 135.91 45.28 Favored 'General case' 0 CA--C 1.49 -1.335 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.19 103.0 23.09 Favored Pre-proline 0 N--CA 1.436 -1.154 1 N-CA-C 94.809 -5.997 . . . . 50.0 94.809 -173.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.1 -24.91 12.21 Favored 'Trans proline' 0 N--CA 1.455 -0.742 1 C-N-CA 106.763 -8.358 . . . . 25.0 113.982 -169.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -62.19 -34.03 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.735 -1.12 . . . . 25.0 112.415 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -97.69 -3.39 39.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.656 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.38 24.14 75.01 Favored Glycine 0 N--CA 1.461 0.341 0 CA-C-O 122.303 0.946 . . . . 25.0 112.259 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.94 167.37 14.79 Favored 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 124.241 1.017 . . . . 25.0 108.966 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 26.2 ptt? -148.28 157.27 43.39 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 170.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.6 m -139.27 139.46 37.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.3 0.64 . . . . 25.0 110.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.27 112.88 3.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.395 0.617 . . . . 25.0 109.38 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -85.01 -25.77 27.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.502 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.69 145.75 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.764 0.316 . . . . 25.0 110.547 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.29 115.73 8.07 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -132.53 145.3 51.04 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 105.655 -1.979 . . . . 25.0 105.655 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.71 169.24 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -121.47 155.27 35.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.703 -1.962 . . . . 25.0 105.703 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.2 151.47 23.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.352 0 CA-C-O 117.353 -1.308 . . . . 25.0 108.112 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -70.56 144.3 91.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.19 166.19 30.63 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 117.242 -1.372 . . . . 25.0 110.805 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.08 -165.12 48.64 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.707 -0.758 . . . . 25.0 111.453 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -146.63 146.74 27.92 Favored Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.68 163.28 37.7 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 116.99 -1.54 . . . . 25.0 110.737 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.65 141.91 56.59 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 115.699 -2.4 . . . . 25.0 110.603 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -130.4 70.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.478 0.656 . . . . 25.0 111.433 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.33 132.83 34.75 Favored 'General case' 0 CA--C 1.482 -1.667 0 CA-C-O 122.647 1.213 . . . . 25.0 108.1 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -139.16 136.59 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.371 0 CA-C-N 112.113 -2.312 . . . . 50.0 106.522 -171.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.03 -139.98 3.81 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.336 -1.106 . . . . 25.0 110.336 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.29 52.8 3.49 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 177.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.89 142.39 35.0 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 113.776 -3.682 . . . . 25.0 110.897 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.28 147.23 30.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.52 142.68 29.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.03 158.64 26.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.82 155.64 38.59 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' HA ' HG11 ' A' ' 23' ' ' VAL . 16.0 m -66.14 -17.66 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.737 0.78 . . . . 50.0 110.588 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.96 -23.04 48.6 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.51 -1.223 . . . . 25.0 111.649 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 144.55 25.25 Favored 'General case' 0 CA--C 1.455 -2.704 0 N-CA-C 121.397 3.851 . . . . 25.0 121.397 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -61.22 -37.73 84.08 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 113.082 -1.872 . . . . 25.0 110.776 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.23 -22.86 78.54 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 114.379 -1.282 . . . . 25.0 112.187 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 18' ' ' VAL . 91.1 t -87.41 -50.01 14.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 CA-C-N 118.01 0.905 . . . . 50.0 110.715 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -50.93 -43.47 60.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.845 1.202 . . . . 25.0 113.522 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -25.75 68.23 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.23 -37.51 20.0 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.61 -62.58 1.63 Allowed 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.96 -32.07 72.24 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 123.846 0.716 . . . . 25.0 109.71 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.46 -47.99 71.35 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.2 79.58 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.288 1.2 t -72.8 -39.12 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.141 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.35 -37.08 94.28 Favored Glycine 0 N--CA 1.437 -1.282 0 N-CA-C 107.971 -2.052 . . . . 25.0 107.971 -175.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 8.9 tt0 -85.19 -28.4 25.47 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.266 1.032 . . . . 25.0 112.032 -176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -87.01 -62.77 1.43 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -83.94 -52.01 6.69 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 112.869 -1.968 . . . . 25.0 112.037 -171.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -70.99 -30.73 67.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 25.0 109.641 -178.345 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.6 -31.98 65.6 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 t -79.49 159.45 26.94 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.032 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -99.87 55.43 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.42 0.629 . . . . 25.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -64.79 130.08 42.18 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.5 mmt -68.09 -23.98 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.716 -0.675 . . . . 25.0 110.646 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -106.59 160.74 15.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.43 112.34 20.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.908 -1.515 . . . . 25.0 106.908 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -130.02 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -159.59 170.76 20.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.857 -1.535 . . . . 25.0 106.857 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -65.49 102.43 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.685 -2.339 . . . . 25.0 104.685 171.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.57 -45.73 29.24 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-O 122.055 0.931 . . . . 25.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -143.09 122.03 12.76 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 113.821 -1.536 . . . . 25.0 108.719 -171.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.32 128.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.388 -1.338 . . . . 50.0 107.388 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -85.28 -44.74 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -143.28 139.61 30.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.107 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.24 114.98 13.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 105.631 -1.989 . . . . 25.0 105.631 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.45 162.15 41.59 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 121.842 0.829 . . . . 25.0 111.052 -174.626 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 149.18 34.93 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.572 -1.195 . . . . 25.0 113.046 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.5 140.65 32.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.77 138.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.12 0.486 . . . . 25.0 112.01 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.95 -155.44 26.23 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 121.011 -0.614 . . . . 25.0 111.569 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 8.32 4.22 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.166 0.984 . . . . 25.0 109.732 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.64 135.82 5.35 Favored Glycine 0 N--CA 1.442 -0.911 1 N-CA-C 99.843 -5.303 . . . . 25.0 99.843 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.63 138.76 53.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 105.169 -2.16 . . . . 50.0 105.169 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.17 117.67 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -91.72 111.28 22.73 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.481 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 88.2 m-85 -98.45 116.39 30.57 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -124.25 116.76 23.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -114.48 137.36 51.95 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-O 123.914 1.816 . . . . 25.0 110.042 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.11 146.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 109.937 -3.302 . . . . 50.0 118.548 -166.425 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -107.69 127.55 53.77 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 105.681 -1.97 . . . . 25.0 105.681 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.17 158.87 15.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.24 1.019 . . . . 25.0 113.413 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.03 171.74 44.35 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 105.345 -3.102 . . . . 25.0 105.345 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -127.89 146.74 50.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 p -112.26 145.61 39.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.2 p -77.09 -19.44 57.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.822 1.415 . . . . 25.0 114.822 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -122.51 169.28 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 115.169 1.544 . . . . 25.0 115.169 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.521 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 3.2 p -104.93 171.41 7.33 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.083 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -64.42 -15.0 59.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 115.371 1.619 . . . . 25.0 115.371 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -15.09 14.18 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 118.405 2.743 . . . . 25.0 118.405 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG3' ' H ' ' A' ' 74' ' ' THR . 19.5 mm-40 -53.1 150.7 10.24 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 112.226 -2.261 . . . . 25.0 112.353 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.6 0.64 7.87 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 121.624 1.549 . . . . 25.0 116.12 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.13 47.7 2.38 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.38 -13.94 53.74 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.616 1.709 . . . . 25.0 115.616 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.35 -41.86 13.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.251 1.024 . . . . 25.0 109.235 176.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.42 -37.94 24.76 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 115.558 1.688 . . . . 25.0 115.558 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.8 m -63.15 -55.64 35.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 C-N-CA 119.438 -0.905 . . . . 25.0 111.046 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 60.0 Cg_endo -66.41 -26.55 47.84 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 113.899 -3.601 . . . . 25.0 113.685 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.3 -40.37 90.23 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 118.011 0.369 . . . . 25.0 110.935 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -84.54 -27.86 27.05 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 81.7 m-20 -68.1 -46.14 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.072 -0.392 . . . . 25.0 110.752 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.81 -50.9 84.49 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.61 -18.82 42.69 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 114.592 -3.138 . . . . 25.0 114.402 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.52 -35.43 53.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.198 0.523 . . . . 25.0 110.691 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 87.8 2.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.767 0.794 . . . . 25.0 111.429 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -124.84 7.19 8.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.627 -0.715 . . . . 25.0 112.267 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.94 121.15 25.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.04 109.79 16.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.13 118.03 19.92 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -116.69 139.46 50.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.5 m -110.61 151.56 27.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.681 -1.6 . . . . 25.0 110.869 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.1 m -129.9 113.04 14.14 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -106.72 135.48 48.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -128.51 109.97 11.86 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 mt -103.53 117.39 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -90.19 121.04 31.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.1 135.64 41.22 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.19 103.33 34.01 Favored Pre-proline 0 N--CA 1.436 -1.16 1 N-CA-C 95.859 -5.608 . . . . 50.0 95.859 -172.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.47 -21.4 15.04 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 106.871 -8.286 . . . . 25.0 113.62 -172.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -15.6 57.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -123.45 -2.64 8.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.544 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.58 16.97 76.11 Favored Glycine 0 N--CA 1.461 0.343 0 CA-C-O 122.007 0.782 . . . . 25.0 111.937 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -111.21 167.49 10.24 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 123.676 0.79 . . . . 25.0 109.184 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' MET . . . . . 0.466 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.35 157.53 43.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 169.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 m -143.7 138.19 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.071 0.548 . . . . 25.0 110.291 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 115' ' ' SER . 25.9 tp -65.44 114.03 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -86.88 -28.85 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.194 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -153.7 141.18 19.78 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.63 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.462 ' HB3' HD21 ' A' ' 112' ' ' LEU . 20.0 p -140.11 120.85 14.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.842 -2.281 . . . . 25.0 104.842 170.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -137.08 149.52 47.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 104.76 -2.311 . . . . 25.0 104.76 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 5.3 m -153.14 169.47 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.473 0.483 . . . . 25.0 111.534 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -128.01 148.68 50.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.09 151.5 25.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.86 -1.067 . . . . 25.0 110.078 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.39 0 N-CA-C 110.745 -0.942 . . . . 25.0 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -77.11 139.69 19.28 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.44 -2.573 . . . . 25.0 111.884 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 ptm -148.98 147.52 28.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 143.25 31.42 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 151.4 40.5 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 m -74.04 160.0 31.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.531 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.85 -16.1 20.5 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.02 -28.7 62.5 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.431 0.692 . . . . 25.0 110.902 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.316 4.8 mp0 -54.43 123.83 14.19 Favored 'General case' 0 CA--C 1.438 -3.327 1 N-CA-C 121.849 4.018 . . . . 25.0 121.849 169.429 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.8 pm0 -64.63 -27.84 69.21 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 112.315 -2.22 . . . . 25.0 110.96 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.07 -27.98 73.63 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 110.573 -1.011 . . . . 25.0 110.573 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.45 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -54.2 -37.78 64.91 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.777 0.831 . . . . 25.0 112.654 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -29.19 69.38 Favored 'General case' 0 C--O 1.207 -1.177 0 C-N-CA 119.744 -0.783 . . . . 25.0 112.751 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -32.59 22.07 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.26 -55.66 23.01 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.68 -36.89 83.6 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.72 -45.87 90.72 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.53 77.15 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.633 0.975 . . . . 25.0 113.633 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 31' ' ' VAL 0.276 1.1 t -72.54 -40.1 62.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.171 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -174.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.74 -37.25 94.52 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.6 tt0 -85.3 -28.24 25.41 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.59 1.186 . . . . 25.0 112.016 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -86.86 -63.04 1.37 Allowed 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -84.11 -53.58 5.43 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 112.461 -2.154 . . . . 25.0 111.697 -171.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.63 -30.28 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.369 -178.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.71 -32.11 65.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -77.38 159.52 29.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.3 139.53 58.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -76.88 101.29 5.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.8 mmm -96.6 -45.91 6.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -142.06 136.8 30.54 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 100.599 -3.852 . . . . 25.0 100.599 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.54 126.46 27.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -142.22 143.58 32.97 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -146.47 159.72 43.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.832 -1.174 . . . . 25.0 107.832 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.34 103.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 101.739 -3.43 . . . . 25.0 101.739 168.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.95 -49.85 41.03 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 122.061 0.934 . . . . 25.0 109.02 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -148.66 127.34 12.49 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 113.514 -1.675 . . . . 25.0 109.384 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.66 130.06 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.75 -40.3 11.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.178 -0.919 . . . . 50.0 109.161 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -141.67 142.85 33.36 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.56 104.87 4.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -141.75 168.56 19.46 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-O 121.579 0.704 . . . . 25.0 110.88 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 152.95 35.53 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.831 -1.077 . . . . 25.0 111.071 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' A' ' 61' ' ' ASN . 33.5 tt0 -98.95 130.3 45.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.94 127.74 67.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.8 -158.63 31.56 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 109.348 -1.501 . . . . 25.0 109.348 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -22.65 67.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.215 0.508 . . . . 25.0 110.945 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.48 137.79 10.52 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 104.45 -3.46 . . . . 25.0 104.45 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.83 113.86 43.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 CA-C-N 118.134 0.967 . . . . 50.0 108.486 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 4.5 m120 -112.2 118.1 34.38 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -91.72 133.29 35.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 91.6 m-85 -123.18 115.01 21.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.54 129.96 52.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -119.79 138.77 53.15 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 123.683 1.706 . . . . 25.0 107.878 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 140.93 22.69 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.474 0 CA-C-N 109.851 -3.341 . . . . 50.0 119.525 -167.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.41 123.08 36.46 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.44 159.63 14.88 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.15 161.47 35.3 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.308 -1.117 . . . . 25.0 110.308 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.43 126.24 30.58 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 100.912 -3.736 . . . . 25.0 100.912 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 p -88.62 142.97 27.25 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 119.636 -0.826 . . . . 25.0 111.123 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 p -72.14 -17.12 61.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.429 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.1 m -125.27 172.35 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.548 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.7 p -111.93 175.0 5.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.02 0.914 . . . . 25.0 111.067 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.641 1.719 . . . . 25.0 115.641 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.274 0.8 OUTLIER -106.77 -14.18 15.06 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 117.037 2.236 . . . . 25.0 117.037 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.548 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.0 mm100 -69.3 153.48 95.86 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 111.884 -2.417 . . . . 25.0 111.758 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.48 177.98 8.13 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 121.779 1.652 . . . . 25.0 113.032 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 60.96 40.29 15.57 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.18 -10.4 1.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 117.104 2.261 . . . . 25.0 117.104 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.33 -41.82 17.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.408 1.099 . . . . 25.0 110.139 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -83.42 -37.42 23.25 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 114.206 1.188 . . . . 25.0 114.206 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.62 -53.88 61.03 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.995 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.35 -24.4 37.2 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 115.642 -2.438 . . . . 25.0 114.021 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.25 -39.57 83.25 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -81.69 -19.63 41.19 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.63 -37.39 70.89 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.797 -0.564 . . . . 25.0 111.1 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.33 -56.59 20.93 Favored Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -69.22 -14.86 38.53 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 115.117 -2.789 . . . . 25.0 114.02 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.16 -16.55 54.64 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.024 -0.422 . . . . 25.0 111.199 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.63 90.69 0.4 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.036 0.446 . . . . 25.0 111.32 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.52 -32.3 71.05 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -115.59 123.83 49.43 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 100.885 -3.746 . . . . 25.0 100.885 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -86.79 109.8 19.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 128.57 34.69 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.78 -1.193 . . . . 25.0 107.78 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -122.84 141.31 52.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.142 0.972 . . . . 25.0 109.466 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.34 157.09 42.87 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.08 -1.418 . . . . 25.0 110.309 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -129.67 125.74 36.7 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 107.688 -1.226 . . . . 25.0 107.688 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -119.26 132.8 55.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -126.64 121.58 32.55 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.46 120.65 63.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -91.55 120.92 32.78 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.77 134.78 42.17 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 104.213 -2.514 . . . . 25.0 104.213 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.2 t -101.63 103.08 25.61 Favored Pre-proline 0 N--CA 1.432 -1.359 1 N-CA-C 95.926 -5.583 . . . . 50.0 95.926 -172.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.0 -21.6 15.68 Favored 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 106.841 -8.306 . . . . 25.0 114.65 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -61.13 -20.74 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.058 -0.974 . . . . 25.0 113.506 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.71 -3.4 10.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.116 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.17 14.78 74.13 Favored Glycine 0 N--CA 1.46 0.273 0 CA-C-O 121.664 0.591 . . . . 25.0 112.01 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -103.91 167.32 9.85 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 123.66 0.784 . . . . 25.0 109.091 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.6 ptt? -148.29 157.66 43.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.5 m -142.61 140.01 31.52 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.145 0.578 . . . . 25.0 110.027 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.5 113.48 4.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.64 0.733 . . . . 25.0 109.412 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -83.45 -34.18 25.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 25.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.42 141.52 22.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 25.0 111.795 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 116.89 12.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -133.3 147.15 51.87 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.61 170.24 19.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -173.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -124.77 159.73 30.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.509 -1.223 . . . . 25.0 109.061 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.32 151.39 23.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.71 0.404 . . . . 25.0 111.497 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 117.113 -1.423 . . . . 25.0 111.092 -178.297 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.74 148.4 58.64 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.928 -2.915 . . . . 25.0 111.081 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.6 ptp -148.75 149.08 30.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.787 0.291 . . . . 25.0 111.787 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.43 128.62 38.34 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.087 -3.672 . . . . 25.0 101.087 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.43 160.16 20.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.69 156.21 32.73 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.473 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.0 m -69.03 -19.7 24.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -74.22 -24.04 59.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.398 -1.273 . . . . 25.0 111.425 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.28 0.8 OUTLIER -53.99 136.11 41.79 Favored 'General case' 0 CA--C 1.44 -3.271 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.26 -32.6 74.05 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 113.367 -1.742 . . . . 25.0 112.044 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.99 74.59 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.176 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.3 t -88.02 -50.92 13.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 117.601 0.7 . . . . 50.0 111.754 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -50.12 -47.02 54.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.995 0.518 . . . . 25.0 112.223 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -28.49 69.54 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.6 24.05 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.21 -54.85 23.21 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.21 -35.85 80.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 123.615 0.572 . . . . 25.0 109.498 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -61.4 -46.41 90.28 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.68 82.79 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.265 1.1 t -74.71 -38.86 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.28 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 -173.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.51 -36.78 93.66 Favored Glycine 0 C--O 1.207 -1.584 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.2 tt0 -85.47 -27.99 25.32 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.416 1.103 . . . . 25.0 111.541 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -86.81 -63.56 1.29 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -83.5 -52.56 6.38 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 112.404 -2.18 . . . . 25.0 112.266 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -71.04 -30.18 66.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.248 -178.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.95 -32.08 66.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -77.74 158.04 29.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.446 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -93.7 55.45 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.383 0.611 . . . . 25.0 111.214 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -66.2 130.84 44.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.636 0.731 . . . . 25.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.45 -25.48 63.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.029 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.41 162.43 13.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -88.53 112.4 22.96 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -121.1 143.54 49.03 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -151.35 168.98 23.12 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.54 103.43 2.49 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 102.289 -3.226 . . . . 25.0 102.289 171.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.63 -45.08 84.44 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-O 121.397 0.618 . . . . 25.0 110.754 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -161.68 136.67 7.3 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.14 -1.391 . . . . 25.0 108.212 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.678 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.95 136.87 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.522 0.677 . . . . 50.0 110.185 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.53 -44.09 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.02 140.18 34.26 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.11 118.3 12.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.55 166.25 32.61 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.77 28.12 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.711 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -104.1 135.82 44.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.69 134.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.04 -145.86 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 105.423 -3.071 . . . . 25.0 105.423 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.53 -24.8 66.87 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.178 0.989 . . . . 25.0 110.056 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.79 162.2 21.69 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 105.296 -3.122 . . . . 25.0 105.296 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -119.18 130.81 73.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -132.96 117.03 17.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.884 0.373 . . . . 25.0 110.539 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.88 136.78 32.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.454 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 90.3 m-85 -123.4 113.34 18.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -121.07 119.77 33.42 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -114.24 135.22 54.3 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 123.193 1.473 . . . . 25.0 107.194 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.678 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -142.59 144.16 24.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 121.267 3.803 . . . . 50.0 121.267 -163.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -93.71 131.33 39.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.766 -1.561 . . . . 25.0 108.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.38 159.4 15.02 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.73 160.45 25.33 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 106.146 -2.782 . . . . 25.0 106.146 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -102.89 148.73 25.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.5 p -88.85 143.53 26.83 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -70.35 -19.52 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 25.0 111.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.9 m -121.58 171.73 8.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.548 . . . . 25.0 110.614 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 4.4 p -104.97 174.06 6.04 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 122.011 0.91 . . . . 25.0 111.433 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -61.85 -21.95 65.1 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.257 0.7 OUTLIER -105.78 -14.77 15.14 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 118.414 2.746 . . . . 25.0 118.414 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 74' ' ' THR . 32.2 mm-40 -55.51 153.39 14.88 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 112.591 -2.095 . . . . 25.0 113.387 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.98 -18.46 65.27 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 N-CA-C 119.323 2.778 . . . . 25.0 119.323 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -131.54 64.47 1.59 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.78 -10.48 20.14 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -42.27 13.4 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.521 1.153 . . . . 25.0 110.335 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -86.43 -34.32 20.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 -171.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.05 -55.41 37.58 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 119.519 -0.873 . . . . 25.0 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.25 -24.77 43.51 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 114.908 -2.928 . . . . 25.0 114.373 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.2 -43.14 92.23 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.05 -26.42 33.75 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.36 -52.34 66.04 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.906 -0.496 . . . . 25.0 111.308 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -53.48 -56.49 24.14 Favored Pre-proline 0 CA--C 1.508 -0.646 0 C-N-CA 119.159 -1.016 . . . . 25.0 113.722 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.18 -26.59 36.06 Favored 'Trans proline' 0 N--CA 1.452 -0.933 1 C-N-CA 111.623 -5.118 . . . . 25.0 115.967 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -73.87 -25.64 60.14 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.959 -0.463 . . . . 25.0 112.187 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.66 83.41 1.58 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -34.84 77.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.77 133.32 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -124.53 144.55 50.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.73 152.63 45.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.116 -2.179 . . . . 25.0 105.116 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -124.24 139.78 53.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.405 1.097 . . . . 25.0 113.733 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.73 160.12 23.17 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.249 -1.341 . . . . 25.0 111.04 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -129.88 117.42 20.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.839 -1.541 . . . . 25.0 106.839 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -113.35 134.04 54.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 38.8 tt0 -129.17 117.55 20.97 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.11 119.07 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -91.54 125.82 36.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.798 -1.926 . . . . 25.0 105.798 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.57 133.85 46.88 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.58 103.01 24.91 Favored Pre-proline 0 N--CA 1.433 -1.278 1 N-CA-C 96.473 -5.38 . . . . 50.0 96.473 -171.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.13 -23.56 13.46 Favored 'Trans proline' 0 N--CA 1.452 -0.915 1 C-N-CA 106.537 -8.508 . . . . 25.0 114.959 -167.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.31 -30.25 68.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.127 -0.942 . . . . 25.0 113.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -106.73 -4.85 18.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.57 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.1 17.89 77.52 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-O 121.931 0.74 . . . . 25.0 111.609 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -108.99 167.43 10.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.9 ptp -148.28 157.54 43.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 169.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -145.17 141.98 29.2 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.871 0.468 . . . . 25.0 110.385 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.06 110.72 3.06 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.883 0.849 . . . . 25.0 109.395 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 42.8 t -84.81 -26.58 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.098 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 3.5 ttmt -150.06 135.62 18.28 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.69 108.22 6.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -127.46 147.03 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.599 -2.0 . . . . 25.0 105.599 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 m -148.35 173.4 13.09 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.34 152.29 51.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.03 -2.582 . . . . 25.0 104.03 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.7 151.55 23.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.13 0.49 . . . . 25.0 111.87 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 116.59 -1.672 . . . . 25.0 107.368 -179.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 CA-C-O 118.939 -0.923 . . . . 25.0 114.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 90.1 Cg_endo -79.2 140.07 15.33 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 115.534 -2.511 . . . . 25.0 115.372 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.75 146.91 31.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.721 -1.127 . . . . 25.0 108.859 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -85.1 145.74 27.5 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.02 156.76 35.89 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.08 158.21 33.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' HA ' HG11 ' A' ' 23' ' ' VAL . 12.4 m -69.58 -16.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -70.85 -29.24 65.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.805 -1.089 . . . . 25.0 111.19 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.281 0.8 OUTLIER -56.06 141.86 38.56 Favored 'General case' 0 CA--C 1.457 -2.598 1 N-CA-C 122.08 4.104 . . . . 25.0 122.08 179.462 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.25 -41.87 80.44 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 112.503 -2.135 . . . . 25.0 111.946 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.08 -25.69 74.34 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.182 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 18' ' ' VAL . 73.4 t -86.35 -48.88 15.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 CA-C-N 117.813 0.807 . . . . 50.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -53.0 -40.91 64.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.133 0.879 . . . . 25.0 112.728 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -27.53 65.26 Favored 'General case' 0 C--O 1.206 -1.218 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -28.5 25.37 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.25 -62.66 1.61 Allowed 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -70.36 -32.89 70.77 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 123.517 0.511 . . . . 25.0 111.226 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.58 -49.21 78.44 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.35 82.98 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 114.595 1.332 . . . . 25.0 114.595 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.275 1.1 t -74.72 -36.39 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.19 0 N-CA-C 106.934 -1.506 . . . . 50.0 106.934 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.55 92.2 Favored Glycine 0 C--O 1.207 -1.553 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 80.7 tt0 -85.82 -28.19 24.63 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 122.177 0.989 . . . . 25.0 111.766 -176.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.88 -62.97 1.39 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 116.448 2.018 . . . . 25.0 116.448 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -84.23 -52.14 6.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.254 -2.248 . . . . 25.0 112.143 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.84 -31.56 68.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.96 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.54 -31.81 67.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -75.24 152.54 38.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.522 -0.763 . . . . 25.0 109.719 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -85.67 55.54 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 25.0 110.201 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.59 127.61 33.66 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.003 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mmt -67.25 -21.67 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -136.33 161.89 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -65.72 133.88 51.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.757 0.313 . . . . 25.0 111.15 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -143.13 149.11 37.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -154.94 167.31 30.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.42 104.76 2.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 102.419 -3.178 . . . . 25.0 102.419 167.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.83 -47.96 64.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.616 0.722 . . . . 25.0 111.425 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -154.94 138.04 15.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.45 -1.25 . . . . 25.0 107.64 -171.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.67 129.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.429 0.633 . . . . 50.0 109.4 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.3 t -86.0 -43.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -145.19 140.82 28.19 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.41 114.2 12.66 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 104.916 -2.254 . . . . 25.0 104.916 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.64 168.33 25.97 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 121.45 0.643 . . . . 25.0 109.926 -176.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.79 164.45 35.27 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.026 -0.988 . . . . 25.0 109.479 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 30.2 tt0 -134.58 120.74 19.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.79 137.82 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.79 -159.53 23.81 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 107.711 -2.156 . . . . 25.0 107.711 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.87 69.0 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.871 0.836 . . . . 25.0 109.155 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.47 148.7 16.98 Favored Glycine 0 N--CA 1.448 -0.543 1 N-CA-C 101.896 -4.482 . . . . 25.0 101.896 172.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.2 t -119.94 131.64 71.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -125.01 124.76 42.66 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.014 -0.428 . . . . 25.0 110.627 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.07 134.24 45.62 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 39.7 m-85 -123.41 114.79 20.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.548 -1.649 . . . . 25.0 106.548 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 117.01 24.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.78 136.21 53.1 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 122.922 1.344 . . . . 25.0 108.812 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -147.74 143.24 19.66 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.183 1 N-CA-C 121.931 4.048 . . . . 50.0 121.931 -163.06 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.46 134.38 34.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.182 -1.372 . . . . 25.0 108.973 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.8 mp -110.85 138.09 47.68 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.57 153.51 24.82 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 107.155 -2.378 . . . . 25.0 107.155 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -79.58 132.93 36.41 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 102.199 -3.259 . . . . 25.0 102.199 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -88.83 142.9 27.27 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.428 -0.909 . . . . 25.0 110.263 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -74.03 -15.85 61.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.398 0.618 . . . . 25.0 109.708 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.91 163.89 12.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.261 1.029 . . . . 25.0 111.179 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.404 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 18.9 p -109.11 173.34 6.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.86 -22.44 64.26 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.34 -15.02 15.56 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 119.464 3.135 . . . . 25.0 119.464 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 74' ' ' THR . 16.3 mm-40 -55.35 147.13 38.82 Favored Pre-proline 0 C--N 1.296 -1.754 0 CA-C-N 112.413 -2.176 . . . . 25.0 114.374 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.08 -16.49 14.07 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.239 1.292 . . . . 25.0 115.268 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.74 33.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.34 -11.19 13.99 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.66 2.096 . . . . 25.0 116.66 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.99 -42.12 14.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.737 1.256 . . . . 25.0 109.319 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.18 -36.17 27.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -173.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.66 -57.44 26.46 Favored Pre-proline 0 C--O 1.215 -0.728 0 C-N-CA 120.337 -0.545 . . . . 25.0 111.307 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.11 -25.68 43.51 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 114.351 -3.299 . . . . 25.0 114.008 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -61.86 -35.02 77.07 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.83 -37.16 35.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.229 0.538 . . . . 25.0 111.989 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.77 -38.74 80.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -58.1 -55.26 47.16 Favored Pre-proline 0 N--CA 1.472 0.672 0 N-CA-C 113.075 0.769 . . . . 25.0 113.075 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.65 -13.06 36.32 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 113.425 -3.917 . . . . 25.0 113.737 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -79.05 -6.91 57.53 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.802 -0.561 . . . . 25.0 110.65 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.88 68.69 0.9 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 122.179 0.99 . . . . 25.0 111.316 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -85.72 14.71 5.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.693 0.759 . . . . 25.0 110.032 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -138.1 150.15 46.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 101.5 -3.519 . . . . 25.0 101.5 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 134.07 35.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 118.839 -0.601 . . . . 25.0 109.471 -167.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.55 113.33 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.657 -1.217 . . . . 25.0 112.618 160.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -124.57 139.6 53.72 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 106.979 -1.489 . . . . 25.0 106.979 165.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 68' ' ' LEU . 75.3 m -120.09 158.36 27.03 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 123.725 0.81 . . . . 25.0 110.286 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -129.83 112.56 13.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.43 -0.805 . . . . 25.0 108.939 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -104.93 126.91 52.5 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -127.04 110.99 13.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.8 mt -102.37 129.86 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -98.76 125.01 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.53 134.93 46.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.66 103.37 27.66 Favored Pre-proline 0 N--CA 1.433 -1.28 1 N-CA-C 95.813 -5.625 . . . . 50.0 95.813 -171.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.08 -25.57 11.61 Favored 'Trans proline' 0 N--CA 1.454 -0.795 1 C-N-CA 106.319 -8.654 . . . . 25.0 114.112 -170.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -60.93 -30.2 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.745 -1.116 . . . . 25.0 112.351 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -103.54 -1.67 27.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.675 -0.693 . . . . 25.0 112.322 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.1 30.01 76.82 Favored Glycine 0 N--CA 1.467 0.736 0 CA-C-O 122.527 1.071 . . . . 25.0 112.219 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.05 167.41 19.76 Favored 'General case' 0 CA--C 1.498 -1.056 0 C-N-CA 124.205 1.002 . . . . 25.0 108.743 -174.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.453 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.1 ptp -148.2 157.55 43.56 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 171.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -144.62 141.62 29.53 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 123.192 0.597 . . . . 25.0 109.409 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.42 115.61 5.86 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -83.93 -34.19 24.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.903 -0.589 . . . . 25.0 109.79 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -151.28 138.33 19.15 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.43 47.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 102.917 -2.994 . . . . 25.0 102.917 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.8 t -145.92 156.56 43.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 105.947 -1.871 . . . . 25.0 105.947 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 10.3 m -146.68 177.81 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.446 0.466 . . . . 25.0 112.135 -174.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -106.62 150.02 26.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.9 138.37 35.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.099 -1.075 . . . . 25.0 108.099 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.219 -0.896 . . . . 25.0 112.827 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 N-CA-C 109.276 -1.53 . . . . 25.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -65.17 151.51 85.25 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 119.208 1.504 . . . . 25.0 114.182 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -149.01 147.83 29.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.13 150.27 23.44 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 173.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.4 155.83 36.62 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -74.43 155.2 38.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -69.64 -17.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.771 -1.196 . . . . 50.0 107.771 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -74.24 -24.4 59.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.719 -1.128 . . . . 25.0 111.174 175.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 1.0 OUTLIER -57.86 131.68 51.09 Favored 'General case' 0 CA--C 1.435 -3.462 0 N-CA-C 120.629 3.566 . . . . 25.0 120.629 172.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.98 -33.34 75.19 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 113.681 -1.6 . . . . 25.0 112.209 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.95 -27.62 69.0 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.989 -0.845 . . . . 25.0 110.989 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.23 -51.96 12.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-O 119.1 -0.476 . . . . 50.0 111.208 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -49.35 -47.24 47.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.404 0.681 . . . . 25.0 112.764 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -29.54 70.82 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.51 24.29 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.32 -60.06 4.11 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.56 -31.46 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.379 0.424 . . . . 25.0 110.517 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.36 -49.7 75.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.61 74.51 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.711 1.374 . . . . 25.0 114.711 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 31' ' ' VAL 0.274 1.2 t -76.09 -35.71 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -175.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.86 -34.1 89.03 Favored Glycine 0 C--O 1.211 -1.329 0 N-CA-C 106.982 -2.447 . . . . 25.0 106.982 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -85.31 -31.08 23.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.85 0.833 . . . . 25.0 112.274 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -87.67 -62.95 1.38 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -84.32 -51.86 6.66 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 111.743 -2.48 . . . . 25.0 111.879 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.829 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.09 70.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -77.52 157.92 30.15 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.393 -0.822 . . . . 25.0 109.563 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -93.64 57.34 2.53 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.543 0.687 . . . . 25.0 111.14 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.25 132.1 48.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.501 0.667 . . . . 25.0 110.15 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.9 mtm -67.59 -20.61 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.821 . . . . 25.0 112.184 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.72 161.84 19.43 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -78.17 112.5 15.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 m -124.18 139.68 53.69 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.24 171.08 20.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.856 -0.338 . . . . 25.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -67.74 102.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -45.15 72.96 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.423 0.63 . . . . 25.0 112.55 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -153.13 131.13 11.79 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.496 -1.229 . . . . 25.0 108.386 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.96 130.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -86.33 -43.91 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -144.97 143.53 30.57 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.747 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.98 12.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.906 -2.257 . . . . 25.0 104.906 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.54 163.67 39.13 Favored 'General case' 0 CA--C 1.479 -1.782 0 CA-C-O 121.553 0.692 . . . . 25.0 110.306 -174.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 137.3 47.91 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 114.512 -1.222 . . . . 25.0 110.871 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -98.59 133.34 43.08 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.386 -2.45 . . . . 25.0 104.386 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.0 138.99 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.53 -134.8 2.17 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.07 -8.76 51.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.627 0.713 . . . . 25.0 110.729 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.16 31.63 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 104.293 -3.523 . . . . 25.0 104.293 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.09 137.76 56.73 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 118.763 1.281 . . . . 50.0 107.793 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -133.45 124.99 28.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.691 -0.631 . . . . 25.0 109.754 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.22 114.28 26.35 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 42.6 m-85 -99.76 115.92 30.65 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.62 123.95 48.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -118.84 134.15 55.36 Favored 'General case' 0 CA--C 1.484 -1.566 0 CA-C-O 123.322 1.534 . . . . 25.0 107.641 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.75 142.74 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.308 0 N-CA-C 121.428 3.862 . . . . 50.0 121.428 -163.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -94.05 133.2 37.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.459 -1.701 . . . . 25.0 108.756 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.16 150.84 20.69 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.878 0.847 . . . . 25.0 112.31 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.5 175.95 45.53 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 105.853 -2.899 . . . . 25.0 105.853 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -122.81 146.68 47.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.1 p -106.4 142.86 35.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 25.0 110.578 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 p -73.96 -23.72 59.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.937 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 63.8 m -123.46 174.43 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.759 0.79 . . . . 25.0 111.969 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.683 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.5 p -136.59 178.76 6.82 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 114.632 -1.167 . . . . 25.0 110.116 -174.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -58.0 -25.24 60.81 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 116.627 2.084 . . . . 25.0 116.627 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.296 0.7 OUTLIER -107.82 -14.59 14.75 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 116.137 1.903 . . . . 25.0 116.137 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HB2' ' H ' ' A' ' 74' ' ' THR . 8.0 mm100 -75.65 153.41 85.39 Favored Pre-proline 0 C--N 1.296 -1.737 0 CA-C-N 111.453 -2.612 . . . . 25.0 108.366 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.15 170.61 19.99 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 121.42 1.413 . . . . 25.0 113.999 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 57.99 49.95 10.96 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.268 1.951 . . . . 25.0 116.268 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.99 -10.46 9.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -42.19 13.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.762 1.268 . . . . 25.0 109.118 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -87.23 -35.03 18.75 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.9 m -62.93 -57.41 21.55 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.586 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -67.86 -25.31 39.21 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 114.382 -3.278 . . . . 25.0 114.351 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.25 -36.93 78.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.259 0.481 . . . . 25.0 109.971 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -83.71 -32.56 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -61.91 -46.17 90.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.77 -55.12 48.2 Favored Pre-proline 0 N--CA 1.475 0.807 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -70.73 -14.2 32.84 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 114.366 -3.289 . . . . 25.0 115.146 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -68.83 -26.09 64.99 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.584 -0.697 . . . . 25.0 110.839 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.74 92.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.071 1.508 . . . . 25.0 115.071 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.65 59.5 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 173.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.78 134.98 35.11 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -126.74 134.5 50.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.85 143.88 29.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.826 -1.916 . . . . 25.0 105.826 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -124.19 138.82 54.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.45 158.16 20.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.273 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 m -129.88 127.06 39.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.46 131.19 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -122.68 107.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -100.44 118.73 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -90.34 121.62 32.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.87 135.62 41.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.572 -2.381 . . . . 25.0 104.572 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.41 103.32 20.07 Favored Pre-proline 0 N--CA 1.435 -1.208 1 N-CA-C 95.835 -5.617 . . . . 50.0 95.835 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.3 -20.26 16.45 Favored 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 106.823 -8.318 . . . . 25.0 114.336 -168.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -64.18 -17.73 63.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.416 -1.266 . . . . 25.0 114.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -122.31 -2.16 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.024 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.36 15.72 75.11 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-O 121.734 0.63 . . . . 25.0 111.932 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.0 p -103.34 166.98 10.1 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 123.745 0.818 . . . . 25.0 108.876 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.2 ptt? -148.1 157.6 43.6 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.4 m -143.76 140.04 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.492 0.717 . . . . 25.0 110.356 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.48 117.32 7.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 121.614 0.721 . . . . 25.0 109.686 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -89.26 -32.07 17.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.287 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -152.58 140.3 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.622 0.248 . . . . 25.0 111.541 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.57 124.95 26.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 104.391 -2.448 . . . . 25.0 104.391 170.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -140.71 149.51 42.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -147.71 175.9 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.199 -2.149 . . . . 25.0 105.199 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -76.46 145.52 39.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.233 -0.889 . . . . 25.0 109.707 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.342 0 N-CA-C 111.682 -0.567 . . . . 25.0 111.682 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.21 159.82 17.74 Favored 'Trans proline' 0 C--N 1.342 0.22 0 N-CA-C 115.325 1.24 . . . . 25.0 115.325 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -148.88 148.68 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.19 142.8 27.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 103.726 -2.694 . . . . 25.0 103.726 172.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.12 158.1 30.03 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.75 155.65 39.74 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' HA ' HG11 ' A' ' 23' ' ' VAL . 13.7 m -65.04 -18.71 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 50.0 111.942 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.65 -23.77 45.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.109 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.18 143.11 34.56 Favored 'General case' 0 CA--C 1.453 -2.75 1 N-CA-C 122.036 4.087 . . . . 25.0 122.036 178.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.09 -40.69 77.43 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 112.218 -2.265 . . . . 25.0 111.774 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.76 -21.38 78.92 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.55 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 18' ' ' VAL . 97.5 t -88.73 -49.21 14.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 117.919 0.86 . . . . 50.0 110.469 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -52.02 -43.16 63.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.532 0.568 . . . . 25.0 112.532 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.67 69.27 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -33.79 21.67 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -57.22 -62.5 1.72 Allowed 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -70.13 -32.11 69.96 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 123.919 0.762 . . . . 25.0 110.207 -171.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.41 -47.83 74.91 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.17 68.3 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.1 t -70.8 -41.41 77.39 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.5 -38.31 96.13 Favored Glycine 0 C--O 1.208 -1.509 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -175.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tt0 -85.3 -27.45 25.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 122.363 1.078 . . . . 25.0 111.807 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -87.28 -62.98 1.38 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 123.919 1.818 . . . . 25.0 115.108 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -84.47 -51.18 7.11 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 112.028 -2.351 . . . . 25.0 113.297 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.7 -32.12 69.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 -179.411 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -69.88 -32.11 70.28 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -75.49 151.68 37.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.54 -0.754 . . . . 25.0 109.528 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -87.67 52.13 2.4 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 25.0 111.785 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -70.62 129.53 39.43 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.437 0.637 . . . . 25.0 109.628 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.7 mtp -69.86 -14.48 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.01 156.86 39.22 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 105.008 -2.219 . . . . 25.0 105.008 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -79.6 112.34 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.294 -1.362 . . . . 25.0 109.959 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -88.37 140.43 29.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 103.222 -2.881 . . . . 25.0 103.222 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -147.2 146.91 30.0 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.245 -0.889 . . . . 25.0 112.08 -172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.64 102.24 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 102.911 -2.996 . . . . 25.0 102.911 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.98 -48.28 58.82 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 122.107 0.956 . . . . 25.0 111.07 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -147.61 127.64 13.67 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 113.7 -1.591 . . . . 25.0 108.537 -171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.83 126.87 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -85.11 -45.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -145.22 145.82 31.46 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.99 103.14 4.56 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -140.09 166.08 25.63 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.769 0.795 . . . . 25.0 111.869 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 145.9 26.53 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.927 -1.033 . . . . 25.0 112.563 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -98.71 139.36 34.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.89 129.45 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.9 -151.37 13.03 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 107.912 -2.075 . . . . 25.0 107.912 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.61 66.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 117.49 0.645 . . . . 25.0 110.26 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.26 153.03 18.44 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 104.473 -3.451 . . . . 25.0 104.473 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.2 123.12 68.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 105.749 -1.945 . . . . 50.0 105.749 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.23 120.37 32.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.62 134.43 34.7 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.5 m-85 -122.99 113.8 19.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.61 -2.367 . . . . 25.0 104.61 175.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -113.64 133.7 55.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 123.535 1.636 . . . . 25.0 108.978 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 49' ' ' VAL 0.264 0.9 OUTLIER -145.9 140.47 21.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 N-CA-C 121.036 3.717 . . . . 50.0 121.036 -165.581 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -90.26 134.87 34.02 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 112.915 -1.948 . . . . 25.0 107.788 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.58 151.76 26.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.64 1.209 . . . . 25.0 113.466 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.18 168.39 40.39 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 103.432 -3.867 . . . . 25.0 103.432 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -113.27 136.47 52.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.518 -1.66 . . . . 25.0 106.518 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -116.25 146.98 41.94 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.107 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.7 p -88.75 -24.44 22.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.546 1.313 . . . . 25.0 114.546 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.0 m -99.79 152.42 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.439 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -107.36 171.45 7.37 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.183 0.992 . . . . 25.0 111.163 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -23.48 64.49 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.017 1.858 . . . . 25.0 116.017 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.262 0.8 OUTLIER -107.56 -15.19 14.66 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.439 ' HB2' ' H ' ' A' ' 74' ' ' THR . 32.9 mt-30 -73.61 153.49 89.58 Favored Pre-proline 0 C--N 1.297 -1.675 0 CA-C-N 111.601 -2.545 . . . . 25.0 108.863 172.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.2 170.8 17.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 120.483 0.789 . . . . 25.0 113.796 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 63.28 44.2 5.74 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.8 -16.86 59.93 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.34 -42.11 23.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.133 0.968 . . . . 25.0 109.305 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -79.44 -43.7 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -172.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.32 -60.8 9.06 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 119.655 -0.818 . . . . 25.0 111.37 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.3 Cg_endo -66.87 -24.79 46.0 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 115.021 -2.853 . . . . 25.0 114.751 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.35 -40.08 92.93 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.548 0.613 . . . . 25.0 110.549 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.57 -30.44 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 69.0 m-20 -62.03 -47.67 83.69 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.078 -0.389 . . . . 25.0 111.299 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -54.23 -56.0 30.94 Favored Pre-proline 0 N--CA 1.471 0.621 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.13 -22.04 47.81 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 115.453 -2.565 . . . . 25.0 115.845 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.186 -0.321 . . . . 25.0 111.583 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 84.65 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -33.79 70.59 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -86.03 90.1 8.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -74.67 110.14 8.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.893 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 133.28 35.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.2 139.92 53.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.93 0.871 . . . . 25.0 110.344 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.9 m -127.41 157.67 39.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.359 -1.291 . . . . 25.0 110.52 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.3 m -129.88 131.96 46.25 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.95 131.06 53.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.54 114.59 19.61 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.88 122.82 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.91 124.78 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.78 133.89 47.09 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -101.16 103.25 24.61 Favored Pre-proline 0 N--CA 1.433 -1.311 1 N-CA-C 97.365 -5.05 . . . . 50.0 97.365 -171.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.57 -21.58 14.69 Favored 'Trans proline' 0 N--CA 1.452 -0.953 1 C-N-CA 106.528 -8.514 . . . . 25.0 115.14 -169.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.21 -29.13 65.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.652 -0.704 . . . . 25.0 112.884 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -111.23 -3.45 15.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.841 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.18 75.7 Favored Glycine 0 N--CA 1.461 0.327 0 CA-C-O 121.917 0.732 . . . . 25.0 111.694 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 p -103.8 167.43 9.79 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 123.926 0.89 . . . . 25.0 109.225 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.436 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.2 ptt? -148.27 156.97 43.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 169.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.7 m -141.72 139.46 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.288 0.635 . . . . 25.0 109.77 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.61 114.0 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -85.21 -31.33 23.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.195 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -153.41 140.99 19.88 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.846 0.355 . . . . 25.0 111.667 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 p -135.65 121.94 20.41 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 102.843 -3.021 . . . . 25.0 102.843 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -134.89 148.44 50.09 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 104.883 -2.266 . . . . 25.0 104.883 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.8 175.26 11.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -126.88 151.99 47.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 174.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.25 143.25 55.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 CA-C-O 117.908 -1.044 . . . . 25.0 109.586 179.644 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.303 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.26 147.13 20.3 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 116.339 -1.974 . . . . 25.0 113.309 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.7 ptm -148.88 148.71 30.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.21 150.55 24.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.015 -2.957 . . . . 25.0 103.015 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.47 156.0 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 104.756 -2.313 . . . . 25.0 104.756 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -75.77 155.57 35.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.67 -19.24 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -72.22 -30.65 65.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.971 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.295 1.0 OUTLIER -52.42 135.42 33.41 Favored 'General case' 0 CA--C 1.442 -3.185 0 N-CA-C 121.264 3.802 . . . . 25.0 121.264 176.493 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.43 -33.78 76.3 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 113.417 -1.719 . . . . 25.0 111.727 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.16 -22.89 72.9 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.146 -0.934 . . . . 25.0 111.441 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -88.73 -49.79 13.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 CA-C-N 117.916 0.858 . . . . 50.0 110.115 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -50.55 -47.39 57.76 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.199 0.454 . . . . 25.0 111.76 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -27.87 69.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.47 -32.06 22.47 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.9 -57.3 10.23 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.78 -35.23 79.6 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.484 0.49 . . . . 25.0 109.822 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.04 -48.91 79.56 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.99 79.55 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 31' ' ' VAL 0.283 1.1 t -73.97 -38.6 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.29 0 N-CA-C 106.635 -1.617 . . . . 50.0 106.635 -174.062 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.32 -36.21 93.09 Favored Glycine 0 C--O 1.211 -1.285 0 N-CA-C 107.946 -2.062 . . . . 25.0 107.946 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.8 tt0 -85.26 -28.9 25.04 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 122.481 1.134 . . . . 25.0 112.134 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.22 -62.91 1.39 Allowed 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.53 -52.0 6.46 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.172 -2.286 . . . . 25.0 112.015 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -71.77 -29.98 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.966 -178.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.58 -32.06 67.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -73.17 151.26 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -87.09 54.59 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.593 0.711 . . . . 25.0 111.141 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.39 128.93 37.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.491 0.662 . . . . 25.0 110.285 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.5 mmt -72.82 -17.28 61.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.625 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.99 165.14 12.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.66 112.52 18.92 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -113.94 134.95 54.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -150.48 164.55 35.65 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -71.74 102.08 2.73 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 102.657 -3.09 . . . . 25.0 102.657 169.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -48.48 81.52 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -157.57 136.0 11.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.891 -1.05 . . . . 25.0 108.75 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.18 130.59 35.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.6 t -87.33 -45.87 16.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -146.5 151.02 36.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.76 118.98 8.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.51 168.89 24.07 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.23 0.538 . . . . 25.0 111.777 -175.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.52 48.68 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.074 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -125.65 108.92 12.02 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.791 -2.3 . . . . 25.0 104.791 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.34 138.54 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -180.0 -151.98 10.45 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.92 67.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 117.56 0.68 . . . . 25.0 109.773 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.48 155.55 20.52 Favored Glycine 0 N--CA 1.449 -0.483 1 N-CA-C 101.827 -4.509 . . . . 25.0 101.827 173.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.88 132.1 71.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 CA-C-N 119.111 1.456 . . . . 50.0 108.985 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -123.53 129.45 51.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.234 0.54 . . . . 25.0 110.123 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.33 132.95 42.57 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.551 -2.389 . . . . 25.0 104.551 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.8 m-85 -123.19 119.63 30.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.005 -1.479 . . . . 25.0 107.005 177.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -122.84 133.58 54.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -121.49 132.79 54.92 Favored 'General case' 0 CA--C 1.482 -1.635 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 HG22 ' A' ' 49' ' ' VAL 0.296 0.9 OUTLIER -144.66 139.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 121.413 3.857 . . . . 50.0 121.413 -165.809 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -90.19 137.51 32.29 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 113.08 -1.873 . . . . 25.0 108.535 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.1 mp -116.44 149.0 40.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.4 1.095 . . . . 25.0 113.699 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.25 172.15 42.75 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 103.834 -3.706 . . . . 25.0 103.834 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -121.02 140.43 51.93 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.6 p -101.78 146.79 27.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.702 0.763 . . . . 25.0 112.511 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.7 p -87.97 1.03 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.77 138.12 38.24 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.554 -1.203 . . . . 25.0 108.387 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 p -137.21 173.28 11.85 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.32 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -60.86 -23.63 65.3 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.148 1.536 . . . . 25.0 115.148 176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.267 0.7 OUTLIER -104.55 -14.79 15.54 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 118.451 2.76 . . . . 25.0 118.451 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -55.07 149.77 23.13 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-N 112.808 -1.997 . . . . 25.0 111.476 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.86 -19.48 20.81 Favored 'Trans proline' 0 C--O 1.219 -0.463 0 N-CA-C 118.325 2.394 . . . . 25.0 118.325 -172.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.75 77.57 1.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.513 0.597 . . . . 25.0 112.417 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.72 -13.76 62.38 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.64 -42.33 11.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.491 1.138 . . . . 25.0 111.164 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -83.19 -34.98 25.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.847 -1.07 . . . . 25.0 113.607 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.34 -57.97 21.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 120.163 -0.615 . . . . 25.0 111.038 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.76 -22.78 42.78 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 116.578 -1.814 . . . . 25.0 113.573 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.78 -44.54 96.68 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -84.65 -29.65 25.52 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -47.27 84.49 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.712 -0.618 . . . . 25.0 110.627 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.99 -58.27 9.99 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.34 -26.22 48.61 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.978 -2.881 . . . . 25.0 115.309 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.55 107.34 0.66 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.947 0.88 . . . . 25.0 112.893 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 174.46 7.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 103.047 -2.945 . . . . 25.0 103.047 169.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 56.09 51.99 11.08 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.151 0.977 . . . . 25.0 111.133 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -75.42 110.26 9.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 153.07 22.26 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -123.98 124.17 42.0 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.666 1.222 . . . . 25.0 108.307 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 68' ' ' LEU . 79.4 m -114.52 160.03 19.7 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.459 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.9 m -128.54 129.92 46.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -123.72 132.08 53.74 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.29 -0.868 . . . . 25.0 108.843 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -126.01 118.14 24.72 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.32 119.71 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -90.43 125.35 35.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.34 134.03 47.42 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.74 103.24 27.16 Favored Pre-proline 0 N--CA 1.434 -1.27 1 N-CA-C 96.684 -5.302 . . . . 50.0 96.684 -171.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -75.55 -19.15 17.0 Favored 'Trans proline' 0 N--CA 1.451 -0.998 1 C-N-CA 106.656 -8.43 . . . . 25.0 115.183 -168.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -61.78 -29.23 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -109.8 -3.46 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.399 0.142 . . . . 25.0 111.265 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.98 17.4 78.56 Favored Glycine 0 C--O 1.228 -0.228 0 CA-C-O 121.992 0.773 . . . . 25.0 111.423 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -103.05 167.32 9.9 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 123.573 0.749 . . . . 25.0 109.058 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 25.5 ptp -148.29 157.09 43.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 170.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -144.47 141.95 29.94 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.359 0.664 . . . . 25.0 109.894 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.63 115.25 5.61 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.809 -0.812 . . . . 25.0 108.809 175.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -91.5 -26.4 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.673 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -150.97 141.19 22.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.78 114.92 8.33 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 102.977 -2.971 . . . . 25.0 102.977 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -137.58 154.05 49.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.32 175.0 10.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -127.51 151.95 48.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 25.0 111.942 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -86.41 151.43 23.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 172.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.338 -1.315 . . . . 25.0 108.524 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.731 0 N-CA-C 103.616 -3.793 . . . . 25.0 103.616 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.51 139.63 23.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 115.556 -2.496 . . . . 25.0 112.513 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -149.0 148.73 30.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.392 . . . . 25.0 109.944 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 173.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.55 156.96 33.12 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -71.56 156.8 39.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.717 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.75 -19.43 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.272 0.558 . . . . 50.0 110.742 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.44 -28.03 60.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.186 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -54.39 136.86 43.32 Favored 'General case' 0 CA--C 1.439 -3.324 0 N-CA-C 120.183 3.401 . . . . 25.0 120.183 178.408 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -67.26 -27.48 67.24 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 113.341 -1.754 . . . . 25.0 112.05 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.51 -23.53 77.52 Favored Glycine 0 C--O 1.225 -0.42 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.491 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -88.47 -46.66 15.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-N 117.707 0.754 . . . . 50.0 110.637 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -51.26 -44.75 61.85 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -27.03 69.0 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 113.591 0.96 . . . . 25.0 113.591 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -33.82 21.69 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.49 -63.02 1.3 Allowed 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.37 -33.49 71.5 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.022 0.826 . . . . 25.0 110.538 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.28 -47.23 77.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.1 74.84 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.285 1.2 t -71.87 -40.44 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.09 -37.0 94.21 Favored Glycine 0 N--CA 1.435 -1.375 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 -175.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.6 tt0 -85.51 -28.07 25.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.138 0.97 . . . . 25.0 111.813 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -87.06 -62.65 1.45 Allowed 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.307 1.966 . . . . 25.0 116.307 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.31 -53.0 5.78 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.627 -2.079 . . . . 25.0 111.94 -172.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -69.87 -30.86 68.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.039 -178.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.68 -32.16 65.59 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 t -73.92 153.06 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.57 -0.741 . . . . 25.0 109.86 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -87.07 53.05 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.525 0.679 . . . . 25.0 110.131 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -67.01 128.9 38.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.4 mtm -75.61 -14.76 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.012 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -114.03 164.94 13.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.02 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -85.65 112.65 21.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -125.61 144.55 50.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.95 163.55 38.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.4 105.16 2.08 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 101.716 -3.438 . . . . 25.0 101.716 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.71 -49.9 64.54 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.879 0.847 . . . . 25.0 109.137 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.44 130.21 9.23 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.784 -1.553 . . . . 25.0 109.397 -170.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -76.87 132.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.91 -48.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -144.8 145.48 31.66 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.46 114.85 9.82 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -149.34 163.74 36.86 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-O 121.54 0.686 . . . . 25.0 111.747 -173.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 153.86 35.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.37 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 136.09 39.19 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 103.937 -2.616 . . . . 25.0 103.937 175.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 mm -124.43 132.29 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.08 -153.64 24.62 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 109.979 -1.248 . . . . 25.0 109.979 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -21.4 64.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.234 0.54 . . . . 25.0 110.9 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.67 135.37 8.35 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 104.295 -3.522 . . . . 25.0 104.295 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.72 131.06 66.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 105.137 -2.172 . . . . 50.0 105.137 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -137.31 117.88 13.89 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.868 -0.52 . . . . 25.0 110.02 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -91.64 134.86 34.33 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.0 m-85 -123.19 118.88 28.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.97 117.54 23.48 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -111.64 132.15 54.78 Favored 'General case' 0 CA--C 1.489 -1.399 0 CA-C-O 123.743 1.735 . . . . 25.0 109.052 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.586 HG23 HG22 ' A' ' 49' ' ' VAL 0.253 0.9 OUTLIER -144.56 141.16 23.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 120.349 3.463 . . . . 50.0 120.349 -166.654 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -92.98 135.21 34.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.23 -1.805 . . . . 25.0 107.134 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.0 mp -113.73 154.22 27.69 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.958 0.885 . . . . 25.0 111.161 175.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.42 147.11 10.34 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 105.459 -3.056 . . . . 25.0 105.459 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -77.91 136.06 37.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.355 -1.72 . . . . 25.0 106.355 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -92.76 144.84 24.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.971 0.415 . . . . 25.0 111.129 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -75.05 -19.47 60.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 25.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.7 m -105.2 165.84 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.559 . . . . 25.0 112.389 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 165.52 13.98 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 123.266 1.508 . . . . 25.0 113.151 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.64 -19.4 63.75 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 111.949 -2.387 . . . . 25.0 115.433 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.273 0.8 OUTLIER -108.67 -15.08 14.49 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 117.825 2.528 . . . . 25.0 117.825 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -60.46 153.37 60.65 Favored Pre-proline 0 C--N 1.3 -1.562 0 CA-C-N 112.623 -2.081 . . . . 25.0 114.128 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.4 18.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.79 2.327 . . . . 25.0 117.453 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -140.55 40.55 1.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.003 1.112 . . . . 25.0 114.003 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -12.43 38.84 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.389 1.996 . . . . 25.0 116.389 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -90.73 -42.06 10.92 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.701 -0.799 . . . . 25.0 110.557 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -81.59 -37.19 28.04 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.03 -54.87 46.26 Favored Pre-proline 0 C--O 1.216 -0.698 0 C-N-CA 119.659 -0.816 . . . . 25.0 110.481 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 48.7 Cg_endo -64.72 -24.61 61.94 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 114.614 -3.124 . . . . 25.0 114.152 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -38.17 89.87 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 174.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -81.45 -19.65 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.301 0.572 . . . . 25.0 112.205 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 73.4 m-20 -77.15 -31.45 55.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -55.1 -54.64 48.04 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.43 -23.36 44.08 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 113.391 -3.94 . . . . 25.0 114.557 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -76.69 -11.52 59.86 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 98.48 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -76.75 -12.4 59.98 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.136 0.493 . . . . 25.0 110.204 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -130.71 132.01 45.11 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.643 -3.095 . . . . 25.0 102.643 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -96.57 141.79 29.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.13 130.36 52.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.17 139.98 53.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.279 1.038 . . . . 25.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' ' 68' ' ' LEU . 78.6 m -125.36 157.41 36.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.962 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.3 m -129.84 121.32 26.51 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -114.41 134.37 55.04 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -130.5 123.01 28.69 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.9 mt -117.62 118.07 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -90.39 125.99 35.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.244 -1.762 . . . . 25.0 106.244 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.15 136.04 44.51 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.46 103.31 34.92 Favored Pre-proline 0 N--CA 1.433 -1.288 1 N-CA-C 96.556 -5.35 . . . . 50.0 96.556 -170.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.06 -21.66 15.51 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 106.694 -8.404 . . . . 25.0 114.757 -169.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -61.73 -18.38 59.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -123.58 1.19 8.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.645 0.26 . . . . 25.0 110.703 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.41 14.96 69.89 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-O 122.055 0.808 . . . . 25.0 112.188 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -101.57 167.46 10.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.43 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.7 ptt? -148.32 157.56 43.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.0 m -140.38 138.94 35.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.045 0.538 . . . . 25.0 109.946 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 115' ' ' SER . 33.4 tp -65.45 111.83 3.27 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -84.15 -27.88 27.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.346 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -155.33 144.84 21.18 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.9 p -144.38 114.42 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.194 -2.15 . . . . 25.0 105.194 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -131.21 148.92 52.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -151.09 170.45 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.774 1.027 . . . . 25.0 113.774 -173.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -122.31 160.26 25.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.51 -1.223 . . . . 25.0 107.878 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.67 112.63 2.33 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.673 1.361 . . . . 25.0 114.673 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.66 -0.686 . . . . 25.0 111.318 177.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 104.627 -3.389 . . . . 25.0 104.627 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.6 138.29 26.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 115.596 -2.47 . . . . 25.0 112.928 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -148.78 150.71 33.56 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 147.08 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 159.41 29.34 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -70.98 156.49 39.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.6 m -64.72 -17.74 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.517 0.675 . . . . 50.0 111.732 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.65 -16.05 40.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.344 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.259 0.6 OUTLIER -57.99 146.39 32.73 Favored 'General case' 0 CA--C 1.455 -2.691 0 N-CA-C 120.985 3.698 . . . . 25.0 120.985 175.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -55.5 -42.68 74.78 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 112.52 -2.127 . . . . 25.0 111.693 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.65 -21.32 78.84 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 114.815 -1.084 . . . . 25.0 113.246 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 18' ' ' VAL . 98.7 t -88.54 -48.57 14.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 118.353 1.077 . . . . 50.0 110.541 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -52.63 -42.41 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.78 -25.24 67.16 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -34.44 22.09 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 107.429 -1.322 . . . . 25.0 107.429 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.4 mt -59.44 -63.0 1.46 Allowed 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -71.01 -24.53 62.39 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -70.99 -43.91 67.02 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.356 -0.538 . . . . 25.0 109.6 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.83 89.47 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 27' ' ' LEU . 1.2 t -82.74 -22.68 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.252 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -59.85 -37.48 92.59 Favored Glycine 0 C--O 1.198 -2.095 0 N-CA-C 103.71 -3.756 . . . . 25.0 103.71 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -85.41 -28.09 25.35 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 123.335 1.54 . . . . 25.0 113.413 -176.409 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -85.64 -62.83 1.44 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 123.402 1.572 . . . . 25.0 114.239 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.499 ' HB2' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -83.76 -51.93 6.82 Favored 'General case' 0 CA--C 1.476 -1.883 1 N-CA-C 122.75 4.352 . . . . 25.0 122.75 174.818 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -64.44 -26.07 68.29 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -83.14 -32.17 26.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.8 m -96.13 159.5 14.93 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.277 1.584 . . . . 25.0 115.277 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -97.98 52.53 1.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.14 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -68.43 128.11 35.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.58 -12.77 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.053 -0.522 . . . . 25.0 111.053 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -123.87 164.22 19.68 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -88.59 112.41 23.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.121 -1.432 . . . . 25.0 108.673 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.44 128.59 41.61 Favored 'General case' 0 C--O 1.18 -2.557 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 165.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -155.49 171.22 20.29 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -164.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -56.41 102.21 0.07 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 170.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.98 -48.36 30.93 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-O 122.041 0.924 . . . . 25.0 110.322 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -149.62 131.1 14.79 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.665 -1.607 . . . . 25.0 108.58 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.76 130.28 36.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -87.74 -45.4 16.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -143.98 146.07 32.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.9 103.21 4.15 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -139.59 168.05 20.7 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-O 121.96 0.886 . . . . 25.0 113.028 -175.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 143.81 30.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.683 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -98.95 134.78 41.32 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.06 134.04 66.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.93 -148.52 8.32 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 106.226 -2.75 . . . . 25.0 106.226 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.16 68.18 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 117.906 0.853 . . . . 25.0 110.12 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.72 163.18 20.72 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 104.798 -3.321 . . . . 25.0 104.798 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.9 t -122.97 128.24 75.08 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 N-CA-C 106.176 -1.787 . . . . 50.0 106.176 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 123.82 31.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.921 -0.487 . . . . 25.0 110.443 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.69 134.77 34.42 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.164 -1.421 . . . . 25.0 107.164 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.469 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 97.5 m-85 -123.27 113.5 18.97 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.01 116.73 25.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -109.08 134.39 51.75 Favored 'General case' 0 CA--C 1.49 -1.355 0 CA-C-O 123.497 1.617 . . . . 25.0 108.732 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL 0.268 0.9 OUTLIER -145.83 140.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 121.324 3.824 . . . . 50.0 121.324 -165.638 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.01 134.92 34.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.191 -1.822 . . . . 25.0 108.629 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.88 155.6 26.52 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 122.486 1.136 . . . . 25.0 110.761 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.24 163.79 35.44 Favored Glycine 0 N--CA 1.434 -1.478 0 N-CA-C 105.808 -2.917 . . . . 25.0 105.808 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -91.64 129.81 37.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 p -108.9 146.24 34.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.52 0.676 . . . . 25.0 111.845 -174.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -76.88 -20.99 55.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.989 -1.005 . . . . 25.0 112.727 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.4 m -126.72 160.05 31.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 6.5 p -95.46 172.56 8.0 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.003 -1.453 . . . . 25.0 110.214 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -64.91 -14.59 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.2 -14.46 14.18 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 118.583 2.809 . . . . 25.0 118.583 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.9 mm100 -50.9 153.46 2.99 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 112.361 -2.2 . . . . 25.0 112.982 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.04 -7.34 20.59 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 N-CA-C 118.05 2.289 . . . . 25.0 118.05 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.48 57.28 1.81 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.36 -10.64 17.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -42.36 16.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.739 1.257 . . . . 25.0 108.757 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -84.41 -37.48 21.42 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 114.452 -1.249 . . . . 25.0 114.242 -172.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.04 -55.37 46.15 Favored Pre-proline 0 C--O 1.216 -0.706 0 C-N-CA 119.695 -0.802 . . . . 25.0 111.44 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.3 Cg_endo -70.14 -26.23 25.99 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 114.404 -3.264 . . . . 25.0 114.064 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.1 -33.17 72.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 118.431 0.56 . . . . 25.0 110.521 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -83.54 -41.72 17.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.582 0.706 . . . . 25.0 111.65 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.1 m-20 -67.46 -42.76 82.49 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -172.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -59.95 -51.07 83.21 Favored Pre-proline 0 N--CA 1.467 0.409 0 C-N-CA 118.657 -1.217 . . . . 25.0 113.778 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.72 -20.44 35.0 Favored 'Trans proline' 0 CA--C 1.539 0.75 1 C-N-CA 112.9 -4.267 . . . . 25.0 114.126 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -66.14 -37.03 84.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 86.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 25.0 110.838 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 174.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -91.31 80.03 5.59 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.22 112.45 8.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.56 140.83 33.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -123.94 137.55 54.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.893 0.854 . . . . 25.0 109.157 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.9 m -129.19 156.6 43.68 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.417 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.4 m -129.85 130.04 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.03 130.06 55.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -127.65 113.26 15.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.4 mt -107.84 122.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.1 124.0 35.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.5 135.8 41.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 104.651 -2.352 . . . . 25.0 104.651 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -99.51 103.15 19.3 Favored Pre-proline 0 N--CA 1.436 -1.153 1 N-CA-C 96.044 -5.539 . . . . 50.0 96.044 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.36 -21.62 15.02 Favored 'Trans proline' 0 N--CA 1.451 -0.983 1 C-N-CA 106.832 -8.312 . . . . 25.0 115.004 -167.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -60.22 -29.25 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.32 -0.855 . . . . 25.0 113.296 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -109.53 -4.32 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.492 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.54 77.1 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-O 121.71 0.617 . . . . 25.0 111.711 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -103.3 167.18 9.98 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.432 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.5 ptt? -148.08 157.61 43.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 170.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -139.89 138.89 36.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.259 0.623 . . . . 25.0 109.468 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.58 115.53 5.88 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.9 t -83.35 -35.2 25.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.449 0.642 . . . . 25.0 109.829 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -150.67 141.04 22.37 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.922 -0.581 . . . . 25.0 112.293 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 128.14 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 171.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -140.02 147.19 40.04 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -129.46 156.23 44.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -85.31 147.2 26.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.587 0 N-CA-C 108.672 -1.771 . . . . 25.0 108.672 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 92.0 Cg_endo -72.91 146.91 42.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 CA-C-N 119.217 1.508 . . . . 25.0 113.02 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.02 149.05 30.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.31 150.52 24.28 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 103.832 -2.655 . . . . 25.0 103.832 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.65 150.44 48.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -69.69 155.84 39.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' HG11 ' A' ' 23' ' ' VAL . 10.4 m -65.72 -21.52 29.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.77 -30.21 69.6 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.97 -1.013 . . . . 25.0 111.991 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 0.5 OUTLIER -49.97 135.45 20.14 Favored 'General case' 0 CA--C 1.447 -2.996 1 N-CA-C 122.312 4.19 . . . . 25.0 122.312 176.108 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.27 -31.39 72.53 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 112.967 -1.924 . . . . 25.0 111.877 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -23.35 78.19 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.343 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.3 t -88.28 -54.02 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.577 0.688 . . . . 50.0 111.408 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -52.02 -42.24 62.88 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.225 0.466 . . . . 25.0 112.254 -175.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -30.09 71.22 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.784 -0.767 . . . . 25.0 113.067 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.29 -34.63 21.86 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.64 -61.13 2.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.65 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.84 0.713 . . . . 25.0 109.528 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.77 -49.53 70.38 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.18 84.45 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 31' ' ' VAL 0.282 1.1 t -74.8 -38.43 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 N-CA-C 105.37 -2.085 . . . . 50.0 105.37 -174.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.73 92.43 Favored Glycine 0 C--O 1.207 -1.56 0 N-CA-C 108.114 -1.994 . . . . 25.0 108.114 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.2 tt0 -85.48 -29.08 24.57 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.919 0.866 . . . . 25.0 112.015 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -87.24 -62.9 1.4 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 123.848 1.785 . . . . 25.0 115.304 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -84.55 -51.38 6.92 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 111.764 -2.471 . . . . 25.0 112.248 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -72.21 -30.16 64.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.788 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.59 -31.86 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -80.3 157.09 26.5 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.063 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -98.64 53.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.27 0.557 . . . . 25.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.06 132.17 51.03 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.367 0.604 . . . . 25.0 109.565 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.2 ptm -63.82 -20.12 65.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.486 ' HB2' ' HD3' ' A' ' 70' ' ' ARG . 37.3 m-85 -131.39 164.91 24.65 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 104.635 -2.357 . . . . 25.0 104.635 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 74' ' ' THR . 73.0 m-70 -79.75 112.43 17.03 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 111.901 -176.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -101.51 143.22 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -156.33 163.58 39.33 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.71 102.58 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 101.79 -3.411 . . . . 25.0 101.79 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.78 -48.2 55.5 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-O 121.87 0.843 . . . . 25.0 110.571 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.18 130.85 14.03 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 113.78 -1.555 . . . . 25.0 109.172 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.5 125.72 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 177.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -83.7 -43.25 17.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -143.61 138.31 28.94 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -136.76 105.61 5.9 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 161.15 38.67 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 121.531 0.681 . . . . 25.0 110.996 -173.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.33 156.31 40.5 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.796 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.8 tt0 -98.78 135.72 39.84 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 177.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.9 mm -120.49 130.79 74.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.79 -153.11 24.25 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 109.866 -1.294 . . . . 25.0 109.866 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.91 -14.67 55.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.21 0.529 . . . . 25.0 111.54 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.02 138.42 9.77 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 103.896 -3.682 . . . . 25.0 103.896 174.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.99 128.55 73.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -137.25 116.76 12.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.864 -0.522 . . . . 25.0 110.078 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -93.52 134.46 35.76 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 122.56 0.344 . . . . 25.0 110.096 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -123.34 117.44 25.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.1 117.73 29.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.117 -1.809 . . . . 25.0 106.117 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -113.88 128.65 56.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 123.794 1.759 . . . . 25.0 107.147 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -140.86 141.23 32.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 120.27 3.433 . . . . 50.0 120.27 -165.022 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -98.7 132.94 43.7 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 112.728 -2.033 . . . . 25.0 107.973 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -108.59 151.91 25.48 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 122.343 1.068 . . . . 25.0 113.131 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.2 152.71 24.75 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 103.275 -3.93 . . . . 25.0 103.275 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.486 ' HD3' ' HB2' ' A' ' 42' ' ' TYR . 44.0 mtt85 -105.88 113.08 26.41 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -88.5 146.11 25.37 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.9 p -80.96 -5.11 57.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.018 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.6 p -99.91 161.47 13.59 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -135.3 175.48 9.54 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.197 -0.91 . . . . 25.0 113.255 -174.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -57.84 -26.1 61.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.299 0.8 OUTLIER -107.77 -14.82 14.71 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 116.054 1.872 . . . . 25.0 116.054 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.577 ' HB2' ' H ' ' A' ' 74' ' ' THR . 74.5 mm-40 -79.46 153.12 76.24 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 111.839 -2.437 . . . . 25.0 109.418 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -79.56 178.45 7.34 Favored 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 122.641 2.228 . . . . 25.0 115.295 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 59.49 45.48 13.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.987 1.847 . . . . 25.0 115.987 173.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.66 -10.33 35.18 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.421 1.637 . . . . 25.0 115.421 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -41.94 12.77 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.217 1.008 . . . . 25.0 108.934 176.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -83.91 -34.29 24.55 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.15 -57.26 28.41 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.535 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.11 -24.52 27.97 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 115.709 -2.394 . . . . 25.0 113.583 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -65.99 -29.56 69.96 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 118.205 0.457 . . . . 25.0 110.816 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -84.77 -32.55 23.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 25.0 111.326 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -46.37 88.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 122.465 0.306 . . . . 25.0 111.269 -175.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.56 -57.67 17.77 Favored Pre-proline 0 N--CA 1.468 0.452 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.95 -19.63 39.82 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 114.447 -3.235 . . . . 25.0 114.501 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.95 -20.29 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.73 -0.606 . . . . 25.0 111.054 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.17 91.41 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -32.44 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.148 -2.168 . . . . 25.0 105.148 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -76.61 133.45 39.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.185 -2.524 . . . . 25.0 104.185 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -123.61 109.78 14.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.328 0.513 . . . . 25.0 109.847 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.22 126.75 55.56 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -123.12 138.43 54.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.387 1.089 . . . . 25.0 111.098 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.415 ' SG ' HD13 ' A' ' 68' ' ' LEU . 82.1 m -124.57 155.86 38.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.273 -1.33 . . . . 25.0 111.314 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 t -129.78 120.98 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -115.66 128.86 56.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -127.14 124.86 40.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.8 mt -117.2 118.51 58.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -90.24 127.29 36.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -106.25 134.3 49.59 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.401 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -102.67 103.36 31.99 Favored Pre-proline 0 N--CA 1.433 -1.279 1 N-CA-C 96.965 -5.198 . . . . 50.0 96.965 -169.751 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.24 -22.44 14.4 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.422 -8.585 . . . . 25.0 114.617 -168.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -62.81 -16.65 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.46 0.08 8.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.691 0.282 . . . . 25.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.06 16.41 70.69 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-O 122.073 0.818 . . . . 25.0 112.24 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -106.08 167.19 9.97 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 123.753 0.821 . . . . 25.0 109.428 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.6 ptt? -148.29 157.48 43.51 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 169.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.0 m -141.05 140.34 34.23 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.145 0.578 . . . . 25.0 109.898 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 115' ' ' SER . 32.2 tp -65.49 111.75 3.25 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.5 t -84.92 -31.87 23.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.52 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.5 145.73 28.04 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 112' ' ' LEU . 38.9 t -148.17 116.42 6.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.82 -2.289 . . . . 25.0 104.82 172.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.99 151.15 47.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.225 -1.769 . . . . 25.0 106.225 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.86 17.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -125.13 136.63 53.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -86.29 151.84 23.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.791 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 173.378 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.406 0 CA-C-O 120.247 -0.196 . . . . 25.0 113.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.23 152.73 75.72 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.631 1.215 . . . . 25.0 114.666 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 ptm -135.89 142.54 44.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.23 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.39 140.1 31.79 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.72 165.69 11.83 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.9 p -83.19 154.13 24.4 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 3.3 m -69.37 -20.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 119.233 0.924 . . . . 50.0 108.884 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.03 -20.83 59.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 25.0 111.728 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.23 140.57 21.09 Favored 'General case' 0 CA--C 1.446 -3.054 0 N-CA-C 121.006 3.706 . . . . 25.0 121.006 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -58.42 -39.97 81.21 Favored 'General case' 0 N--CA 1.413 -2.293 0 CA-C-N 112.708 -2.042 . . . . 25.0 110.353 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.83 -23.44 78.0 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 114.853 -1.067 . . . . 25.0 112.348 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 18' ' ' VAL . 68.8 t -87.7 -52.57 11.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 CA-C-N 117.986 0.893 . . . . 50.0 111.201 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -51.18 -45.35 61.77 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 119.054 0.843 . . . . 25.0 112.809 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -28.1 69.36 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.44 -35.03 21.51 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' HG12 ' A' ' 23' ' ' VAL . 15.5 mt -64.23 -57.58 9.06 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.83 -33.35 75.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.77 -48.68 75.97 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.41 76.3 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.281 1.1 t -72.09 -40.54 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 105.531 -2.025 . . . . 50.0 105.531 -173.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.9 -37.11 94.37 Favored Glycine 0 C--O 1.211 -1.322 0 N-CA-C 108.832 -1.707 . . . . 25.0 108.832 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.4 tt0 -85.32 -28.3 25.34 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 122.161 0.981 . . . . 25.0 112.104 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.83 -62.92 1.4 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.551 1.685 . . . . 25.0 115.551 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.89 -52.76 6.09 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.1 -2.318 . . . . 25.0 112.404 -171.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 5.4 tmtt? -70.53 -29.86 66.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.702 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -73.41 -32.0 64.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 t -77.63 155.1 31.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.256 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -91.99 54.87 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.467 0.651 . . . . 25.0 110.152 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.65 130.17 42.6 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.1 mtt -69.17 -18.77 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.639 -0.709 . . . . 25.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.87 163.05 17.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -88.18 112.67 23.0 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 m -119.28 144.8 46.59 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.78 166.84 30.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.29 102.33 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.63 -47.21 33.38 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.107 0.956 . . . . 25.0 111.556 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -144.54 121.86 11.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.999 -1.455 . . . . 25.0 109.252 -170.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.4 129.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.396 -1.335 . . . . 50.0 107.396 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.2 t -88.05 -43.78 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -145.54 144.0 30.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.297 -0.41 . . . . 25.0 110.807 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 114.72 7.21 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.35 165.32 32.36 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.701 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.74 139.29 53.25 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -99.51 129.71 45.7 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.818 -2.29 . . . . 25.0 104.818 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.8 mm -107.46 142.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.99 -158.54 31.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 106.815 -2.514 . . . . 25.0 106.815 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.52 66.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.721 0.761 . . . . 25.0 109.393 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.53 158.34 19.03 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 104.746 -3.342 . . . . 25.0 104.746 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.56 136.13 60.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 107.378 -1.341 . . . . 50.0 107.378 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -131.84 126.4 34.18 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.797 -0.565 . . . . 25.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.76 111.21 22.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -98.78 114.3 26.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.28 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.75 136.8 53.57 Favored 'General case' 0 CA--C 1.479 -1.766 0 CA-C-O 123.285 1.517 . . . . 25.0 107.504 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 141.97 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 120.403 3.483 . . . . 50.0 120.403 -166.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.52 130.1 37.4 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.055 -1.884 . . . . 25.0 108.777 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.85 150.38 25.64 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 122.309 1.052 . . . . 25.0 111.835 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.75 164.11 36.73 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 104.673 -3.371 . . . . 25.0 104.673 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -101.7 136.41 41.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 104.668 -2.345 . . . . 25.0 104.668 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -107.3 152.55 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.337 1.236 . . . . 25.0 114.337 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.8 p -83.56 4.13 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.992 -1.004 . . . . 25.0 113.356 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.2 p -129.06 164.82 22.43 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.364 1.078 . . . . 25.0 113.383 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 p -114.69 174.24 6.07 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-N 114.337 -1.301 . . . . 25.0 109.191 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -58.98 -22.29 60.14 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 115.689 1.737 . . . . 25.0 115.689 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.306 0.8 OUTLIER -107.28 -14.6 14.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 119.884 3.29 . . . . 25.0 119.884 -179.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -55.54 145.66 48.33 Favored Pre-proline 0 C--N 1.298 -1.631 0 CA-C-N 111.462 -2.608 . . . . 25.0 111.493 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -83.38 10.06 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.766 2.311 . . . . 25.0 116.233 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -124.06 31.37 5.83 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 -173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -10.46 7.5 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 118.704 2.853 . . . . 25.0 118.704 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -87.81 -41.92 12.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.81 1.186 . . . . 25.0 109.418 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -77.71 -36.61 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.022 -0.99 . . . . 25.0 112.41 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.09 -64.53 2.23 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 119.177 -0.439 . . . . 25.0 111.646 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.0 Cg_endo -69.1 -26.78 30.34 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 114.54 -3.173 . . . . 25.0 113.738 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.73 -40.61 84.27 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 118.21 0.459 . . . . 25.0 111.193 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -84.81 -31.96 23.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.4 m-20 -68.82 -43.17 76.08 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.43 -52.83 70.14 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.84 -15.4 29.78 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 114.849 -2.968 . . . . 25.0 114.545 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -76.94 -15.32 59.7 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.84 -0.538 . . . . 25.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.32 90.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 25.0 112.013 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -74.35 -32.06 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -96.97 128.53 44.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 103.217 -2.883 . . . . 25.0 103.217 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -110.72 110.11 20.63 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.61 137.88 31.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.14 138.61 54.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -129.17 154.92 46.28 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.15 -0.932 . . . . 25.0 110.565 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.415 ' HB3' HE22 ' A' ' 100' ' ' GLN . 14.6 m -129.94 130.41 45.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -125.79 128.04 47.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.415 HE22 ' HB3' ' A' ' 98' ' ' SER . 20.2 mp0 -123.39 111.28 16.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.875 -0.602 . . . . 25.0 109.528 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.79 118.31 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -90.52 123.88 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.95 135.53 42.25 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.259 -2.497 . . . . 25.0 104.259 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.88 103.57 25.77 Favored Pre-proline 0 N--CA 1.433 -1.301 1 N-CA-C 96.2 -5.482 . . . . 50.0 96.2 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.72 -22.36 13.66 Favored 'Trans proline' 0 N--CA 1.452 -0.92 1 C-N-CA 106.509 -8.528 . . . . 25.0 114.964 -167.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -59.19 -32.64 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 25.0 112.66 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -106.03 -2.39 22.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.63 17.37 74.79 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-O 121.985 0.769 . . . . 25.0 111.835 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -104.62 167.19 9.89 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.937 0.895 . . . . 25.0 108.976 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.427 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 10.1 ptm -148.15 157.45 43.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -146.1 141.32 27.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.129 0.572 . . . . 25.0 110.25 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.0 115.75 6.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -89.4 -32.9 17.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.877 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -150.43 140.48 22.04 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.328 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 p -141.83 122.98 14.68 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.815 -2.291 . . . . 25.0 104.815 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -137.34 152.1 49.34 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.86 170.74 17.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.846 0.355 . . . . 25.0 111.701 -176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.57 155.04 34.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -68.15 143.22 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.998 -1.001 . . . . 25.0 109.318 -179.667 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.429 0 CA-C-O 119.071 -0.85 . . . . 25.0 114.537 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 96.2 Cg_endo -71.34 141.32 38.74 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-N 119.731 1.766 . . . . 25.0 115.644 -176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -137.79 147.57 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.32 143.25 26.56 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.09 162.16 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.1 0.476 . . . . 25.0 110.151 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -77.76 159.25 29.18 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.7 m -65.31 -19.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.659 0.266 . . . . 50.0 111.219 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -86.4 -7.24 58.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.767 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.306 1.1 mp0 -63.69 141.04 58.91 Favored 'General case' 0 CA--C 1.449 -2.934 0 N-CA-C 117.889 2.551 . . . . 25.0 117.889 170.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.3 -46.59 66.01 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-N 111.365 -2.652 . . . . 25.0 112.506 -174.412 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.14 77.75 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.445 -0.798 . . . . 25.0 112.418 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 18' ' ' VAL . 96.9 t -82.13 -53.19 12.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 118.155 0.977 . . . . 50.0 108.68 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -49.45 -48.27 47.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -30.06 70.7 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.68 -27.98 24.99 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.6 -59.57 4.13 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -65.66 -35.83 81.91 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.44 -48.65 80.2 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.38 79.28 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.0 OUTLIER -71.85 -40.88 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -173.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.43 -36.69 93.72 Favored Glycine 0 N--CA 1.436 -1.336 0 N-CA-C 108.758 -1.737 . . . . 25.0 108.758 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.3 tt0 -85.61 -28.0 25.09 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.163 0.982 . . . . 25.0 111.895 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -87.06 -63.08 1.36 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.629 1.715 . . . . 25.0 115.629 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -84.17 -53.4 5.54 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 112.255 -2.248 . . . . 25.0 111.626 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.66 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.078 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.69 -32.21 65.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -75.62 153.67 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.172 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.05 53.72 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.79 0.805 . . . . 25.0 108.909 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -66.04 131.28 45.83 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.81 -12.77 60.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.283 0.564 . . . . 25.0 110.71 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -121.01 165.96 14.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.55 112.4 22.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.057 -0.657 . . . . 25.0 109.998 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -110.97 139.37 46.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -144.34 166.11 26.01 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.84 102.08 4.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 101.146 -3.649 . . . . 25.0 101.146 170.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.46 -46.47 82.97 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.709 0.766 . . . . 25.0 110.438 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -157.53 130.5 7.6 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.882 -1.508 . . . . 25.0 108.858 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.35 131.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.6 t -92.9 -44.07 13.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.919 -1.037 . . . . 50.0 108.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -141.48 148.51 39.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 116.11 6.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.47 167.1 29.9 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 152.05 32.77 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.991 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.0 tt0 -98.67 129.59 45.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.76 129.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.92 -165.05 37.41 Favored Glycine 0 C--O 1.227 -0.338 0 N-CA-C 109.513 -1.435 . . . . 25.0 109.513 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.3 -20.25 65.96 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.199 0.524 . . . . 25.0 110.407 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.76 136.57 9.75 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 105.036 -3.225 . . . . 25.0 105.036 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.48 134.78 57.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.31 123.33 20.27 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.53 134.14 38.73 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.6 m-85 -123.22 114.4 20.21 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.39 132.35 54.33 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -119.76 133.68 55.52 Favored 'General case' 0 CA--C 1.474 -1.953 0 CA-C-O 123.517 1.627 . . . . 25.0 106.959 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -142.53 138.98 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 110.014 -3.267 . . . . 50.0 118.851 -168.862 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.7 137.16 32.57 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.887 -1.961 . . . . 25.0 108.048 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.512 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -113.72 155.69 25.14 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.208 1.004 . . . . 25.0 113.629 174.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.57 134.29 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 106.279 -2.728 . . . . 25.0 106.279 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -91.24 142.48 27.67 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 117.949 0.875 . . . . 25.0 111.366 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -115.98 153.4 31.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.127 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -93.01 0.07 57.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.09 155.8 17.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.722 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 9.1 p -141.43 178.7 7.25 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -175.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -59.55 -24.01 63.35 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 115.77 1.767 . . . . 25.0 115.77 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER -106.9 -14.46 14.96 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 117.2 2.296 . . . . 25.0 117.2 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.722 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.2 mm100 -64.08 153.53 84.91 Favored Pre-proline 0 C--N 1.298 -1.65 0 CA-C-N 112.101 -2.318 . . . . 25.0 111.251 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.72 163.56 36.95 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 121.32 1.347 . . . . 25.0 114.136 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 56.12 56.02 6.27 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 116.649 2.092 . . . . 25.0 116.649 173.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.35 -10.75 26.49 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -41.95 17.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.983 1.373 . . . . 25.0 109.308 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -84.26 -36.37 22.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 114.356 -1.293 . . . . 25.0 113.551 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -60.02 -56.69 33.05 Favored Pre-proline 0 C--O 1.218 -0.581 0 C-N-CA 119.464 -0.894 . . . . 25.0 111.521 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.24 -27.13 41.4 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 115.2 -2.733 . . . . 25.0 114.554 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -57.37 -40.05 77.33 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -84.76 -19.6 32.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.674 0.991 . . . . 25.0 113.674 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.81 -55.88 28.75 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 118.58 0.627 . . . . 25.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -51.09 -55.91 24.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.26 -21.03 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 114.068 -3.488 . . . . 25.0 114.898 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -70.05 -39.23 75.84 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.537 -0.727 . . . . 25.0 109.989 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.85 83.12 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.347 1.07 . . . . 25.0 113.656 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -81.76 -12.45 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 168.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -82.95 73.3 10.0 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.859 -1.534 . . . . 25.0 106.859 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -76.82 109.93 11.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.49 143.39 49.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -124.35 145.94 49.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.25 1.024 . . . . 25.0 112.282 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD13 ' A' ' 68' ' ' LEU . 72.0 m -127.58 154.86 44.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.093 -1.412 . . . . 25.0 109.576 174.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -129.9 131.01 45.89 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.51 127.48 49.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.31 115.48 22.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 108.709 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 33.9 mt -113.65 116.93 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -90.27 123.8 34.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.05 135.22 45.13 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 104.894 -2.262 . . . . 25.0 104.894 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.41 103.27 30.26 Favored Pre-proline 0 N--CA 1.433 -1.32 1 N-CA-C 95.589 -5.708 . . . . 50.0 95.589 -171.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.24 -23.53 13.33 Favored 'Trans proline' 0 N--CA 1.454 -0.829 1 C-N-CA 106.543 -8.505 . . . . 25.0 113.484 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.2 -19.93 63.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.671 -1.149 . . . . 25.0 112.954 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -119.16 1.1 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.718 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.94 27.93 72.84 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-O 122.4 1.0 . . . . 25.0 112.527 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.08 167.67 16.42 Favored 'General case' 0 CA--C 1.497 -1.076 0 C-N-CA 124.15 0.98 . . . . 25.0 108.82 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 23.0 ptt? -148.26 157.46 43.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.3 m -142.84 140.15 31.17 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.058 0.543 . . . . 25.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.0 113.39 4.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -84.01 -32.71 24.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.013 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -152.98 140.34 19.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.886 0.374 . . . . 25.0 111.112 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 127.19 27.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 103.073 -2.936 . . . . 25.0 103.073 171.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -138.85 148.17 43.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.98 170.79 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -136.5 143.02 43.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 175.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.37 149.82 24.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.196 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.38 126.57 13.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 114.595 -3.137 . . . . 25.0 111.695 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -148.95 149.71 31.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.464 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 133.57 39.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.792 -2.67 . . . . 25.0 103.792 167.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.22 165.38 11.42 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.023 -2.954 . . . . 25.0 103.023 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.68 155.39 26.81 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 104.684 -2.339 . . . . 25.0 104.684 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.1 m -67.17 -16.43 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.586 0.232 . . . . 50.0 111.14 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.8 -11.77 43.95 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.644 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.3 0.5 OUTLIER -52.41 140.27 22.64 Favored 'General case' 0 CA--C 1.441 -3.219 0 N-CA-C 119.706 3.225 . . . . 25.0 119.706 170.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.52 -41.07 80.14 Favored 'General case' 0 N--CA 1.411 -2.396 0 CA-C-N 112.517 -2.128 . . . . 25.0 110.153 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.41 -23.4 75.09 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 114.603 -1.181 . . . . 25.0 112.739 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 18' ' ' VAL . 94.4 t -88.7 -53.14 10.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 118.648 1.224 . . . . 50.0 111.223 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -50.7 -45.24 58.25 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 118.934 0.788 . . . . 25.0 112.82 -176.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.54 70.56 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.53 -29.29 24.32 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.714 -1.217 . . . . 25.0 107.714 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.51 -58.11 7.3 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 109.473 -0.565 . . . . 25.0 109.473 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.45 -32.99 73.39 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.13 -44.96 86.96 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.928 -0.768 . . . . 25.0 108.928 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.27 78.11 Favored 'General case' 0 C--O 1.208 -1.099 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.259 1.0 OUTLIER -77.24 -36.62 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.189 0 N-CA-C 105.327 -2.101 . . . . 50.0 105.327 -175.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.49 -35.12 91.62 Favored Glycine 0 C--O 1.199 -2.082 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 60.6 tt0 -85.46 -28.59 24.94 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 122.015 0.912 . . . . 25.0 111.849 -176.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.31 -63.11 1.35 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.84 1.793 . . . . 25.0 115.84 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -84.56 -53.62 5.28 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.222 -2.263 . . . . 25.0 111.654 -171.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.41 -31.37 70.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.824 -0.625 . . . . 25.0 110.135 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.07 -32.0 66.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.3 m -79.81 159.64 26.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.218 -0.901 . . . . 25.0 110.324 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.48 58.17 4.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.062 0.934 . . . . 25.0 109.679 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -65.5 128.95 37.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -77.38 -12.7 59.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.743 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -126.04 163.79 22.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.939 -0.764 . . . . 25.0 108.939 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.99 112.39 20.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 m -118.31 147.91 43.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HE ' HG21 ' A' ' 71' ' ' THR . 8.4 ttm-85 -149.5 158.19 43.95 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.717 -0.393 . . . . 25.0 111.983 -175.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.96 102.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 102.735 -3.061 . . . . 25.0 102.735 167.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.91 -45.2 75.06 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 121.935 0.874 . . . . 25.0 111.073 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.43 136.44 8.47 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.975 -1.466 . . . . 25.0 108.185 -171.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.32 131.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.994 0.902 . . . . 50.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -86.33 -45.71 16.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.19 -0.914 . . . . 50.0 108.629 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -143.75 139.91 29.67 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -140.37 119.32 12.64 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.176 -2.157 . . . . 25.0 105.176 175.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.42 168.12 26.51 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.799 -173.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.42 164.81 25.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.505 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.21 137.44 47.58 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 171.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -127.56 137.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.8 -156.36 28.04 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.136 -1.986 . . . . 25.0 108.136 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.01 66.98 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.44 0.62 . . . . 25.0 109.73 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.78 137.11 10.31 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 105.352 -3.099 . . . . 25.0 105.352 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.13 134.66 60.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 106.93 -1.508 . . . . 50.0 106.93 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.73 132.66 46.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.823 -0.548 . . . . 25.0 110.425 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -107.47 113.82 27.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 83.9 m-85 -102.64 117.06 33.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -119.62 110.74 17.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -104.87 130.14 53.07 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.135 -2.172 . . . . 25.0 105.135 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 49' ' ' VAL 0.347 0.9 OUTLIER -140.65 134.57 33.7 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.3 0 N-CA-C 121.757 3.984 . . . . 50.0 121.757 -165.469 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -90.21 137.37 32.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 112.961 -1.927 . . . . 25.0 106.95 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.2 mp -114.37 156.76 23.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.75 172.03 43.54 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 104.538 -3.425 . . . . 25.0 104.538 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -109.7 142.49 40.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 104.331 -2.47 . . . . 25.0 104.331 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.478 HG21 ' HE ' ' A' ' 45' ' ' ARG . 46.8 p -99.89 142.77 30.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.765 -0.374 . . . . 25.0 111.401 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -73.44 -25.22 60.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.14 169.51 10.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.808 0.813 . . . . 25.0 111.865 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.651 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -132.73 178.05 7.16 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.007 -0.997 . . . . 25.0 110.834 -173.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -58.62 -25.17 62.39 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 116.213 1.931 . . . . 25.0 116.213 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.304 0.8 OUTLIER -108.41 -14.86 14.58 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 115.969 1.84 . . . . 25.0 115.969 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' A' ' 74' ' ' THR . 88.4 mm-40 -81.75 153.59 70.34 Favored Pre-proline 0 C--N 1.298 -1.672 0 CA-C-N 111.505 -2.588 . . . . 25.0 107.859 176.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.55 173.91 13.69 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 121.663 1.575 . . . . 25.0 115.31 -173.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 57.67 49.81 11.83 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 173.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.0 -14.15 32.6 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 -42.29 13.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.171 0.986 . . . . 25.0 109.604 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.99 -38.27 22.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.73 -57.72 20.5 Favored Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 119.697 -0.801 . . . . 25.0 110.929 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.39 -23.51 44.15 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 114.367 -3.289 . . . . 25.0 114.201 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.25 -37.16 86.15 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 118.187 0.449 . . . . 25.0 110.064 173.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -84.25 -30.07 25.97 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.68 -44.45 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.421 0.288 . . . . 25.0 110.816 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.51 -58.52 13.73 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.79 -12.34 32.64 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 114.962 -2.892 . . . . 25.0 115.327 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.15 -24.59 62.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.736 -0.602 . . . . 25.0 110.593 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.58 89.73 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.374 1.083 . . . . 25.0 112.597 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -74.02 -30.29 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.26 130.57 43.5 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -100.48 119.96 39.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.28 120.68 9.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.259 0.349 . . . . 25.0 110.924 -173.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -124.28 144.6 49.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 68' ' ' LEU . 97.4 m -113.97 160.04 19.26 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.597 1.559 . . . . 25.0 108.747 170.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 116' ' ' THR . 65.8 m -129.84 120.54 25.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -114.24 132.12 56.25 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -125.24 109.03 12.33 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.1 mt -97.97 119.18 45.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -90.39 125.22 35.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 105.42 -2.067 . . . . 25.0 105.42 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.33 135.26 44.26 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 104.44 -2.43 . . . . 25.0 104.44 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -103.79 102.8 33.2 Favored Pre-proline 0 CA--C 1.491 -1.298 1 N-CA-C 97.055 -5.165 . . . . 50.0 97.055 -171.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.95 -24.98 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.035 1 C-N-CA 106.592 -8.472 . . . . 25.0 114.02 -172.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.29 -22.69 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.913 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -119.59 2.85 11.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.98 29.02 74.28 Favored Glycine 0 N--CA 1.465 0.599 0 CA-C-O 122.586 1.103 . . . . 25.0 112.21 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.01 167.38 15.4 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.147 -1.026 . . . . 25.0 108.275 -174.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.4 ptt? -148.23 157.57 43.57 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 170.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -149.7 143.84 25.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.079 0.551 . . . . 25.0 110.207 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.44 115.63 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.743 0.782 . . . . 25.0 109.79 175.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -92.22 -29.3 16.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.457 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.92 145.11 28.49 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.95 116.47 6.19 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 98' ' ' SER . 0.6 OUTLIER -125.26 153.19 43.58 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 101.189 -3.634 . . . . 25.0 101.189 177.055 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 1.0 OUTLIER -148.04 -179.57 7.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.886 0.85 . . . . 25.0 112.732 -177.343 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.77 160.28 15.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.063 -1.88 . . . . 25.0 111.193 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.66 149.6 46.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.284 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.018 -0.991 . . . . 25.0 112.185 -178.591 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.156 0 CA-C-O 119.339 -0.7 . . . . 25.0 111.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.89 151.14 86.54 Favored 'Trans proline' 0 C--N 1.346 0.4 0 CA-C-N 118.952 1.376 . . . . 25.0 110.718 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.56 138.67 47.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.22 148.78 29.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 171.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.68 159.31 31.12 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.562 -2.385 . . . . 25.0 104.562 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 p -82.67 160.17 22.48 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.9 -13.29 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.603 0.716 . . . . 50.0 110.489 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -86.54 -22.7 26.19 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.879 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.9 mp0 -55.01 138.49 43.74 Favored 'General case' 0 CA--C 1.457 -2.633 1 N-CA-C 121.915 4.043 . . . . 25.0 121.915 172.336 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.16 -41.74 84.46 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 112.038 -2.346 . . . . 25.0 110.818 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.14 75.47 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.687 -1.142 . . . . 25.0 112.472 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.28 -47.29 15.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 118.197 0.999 . . . . 50.0 109.462 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -53.93 -43.22 69.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 118.855 0.752 . . . . 25.0 112.593 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.22 68.55 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.848 -0.741 . . . . 25.0 112.652 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.38 -34.46 21.75 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.2 mt -58.53 -62.66 1.69 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -68.62 -31.12 70.05 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 123.851 0.719 . . . . 25.0 109.796 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -45.3 84.59 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 27' ' ' LEU 0.268 1.2 t -76.68 -37.0 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.225 0 N-CA-C 105.551 -2.018 . . . . 50.0 105.551 -174.318 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.65 -36.74 93.69 Favored Glycine 0 C--O 1.207 -1.555 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.5 tt0 -85.25 -28.26 25.49 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.407 1.099 . . . . 25.0 111.95 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -86.77 -62.91 1.4 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 116.166 1.913 . . . . 25.0 116.166 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.26 -52.07 6.52 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.848 -1.978 . . . . 25.0 112.199 -172.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.8 -30.89 67.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.97 -178.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.43 -32.08 66.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -78.36 152.9 32.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.437 -0.802 . . . . 25.0 110.43 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -90.03 56.72 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.687 0.756 . . . . 25.0 108.999 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.27 129.48 39.89 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.41 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.9 mmm -69.54 -15.69 63.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.193 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -126.45 163.24 23.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -79.7 112.56 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m -121.8 145.24 48.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.093 -1.818 . . . . 25.0 106.093 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -156.29 166.62 32.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -72.98 102.43 3.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 170.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.28 -48.35 67.96 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.92 0.867 . . . . 25.0 111.851 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.83 130.7 13.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.022 -1.445 . . . . 25.0 108.894 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.85 129.49 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.92 -41.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.467 -0.788 . . . . 50.0 109.032 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -144.9 142.78 30.17 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.12 112.46 6.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.03 168.78 24.14 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 121.785 0.803 . . . . 25.0 113.022 -176.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 134.68 40.33 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.637 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -98.57 122.06 41.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 105.569 -2.011 . . . . 25.0 105.569 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.04 141.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.56 -167.09 39.93 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 107.147 -2.381 . . . . 25.0 107.147 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -24.56 67.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.83 0.815 . . . . 25.0 109.49 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.95 138.4 11.7 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 103.458 -3.857 . . . . 25.0 103.458 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 132.31 58.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 107.49 -1.3 . . . . 50.0 107.49 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -126.65 126.23 43.22 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.861 -0.524 . . . . 25.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -93.25 130.73 38.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 104.035 -2.58 . . . . 25.0 104.035 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.0 m-85 -118.84 119.28 33.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.4 116.09 18.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 123.551 0.532 . . . . 25.0 109.664 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -112.24 140.52 46.87 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-O 123.435 1.588 . . . . 25.0 108.681 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.14 141.05 19.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 120.267 3.432 . . . . 50.0 120.267 -166.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -90.7 131.65 36.26 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.494 -1.684 . . . . 25.0 109.365 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -98.29 157.59 16.09 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.348 1.07 . . . . 25.0 110.927 177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.51 177.47 48.26 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 103.373 -3.891 . . . . 25.0 103.373 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -118.55 139.73 51.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -103.07 145.63 29.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.0 p -74.04 -23.82 59.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.379 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.88 167.33 10.59 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -93.77 164.86 12.96 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.133 1.444 . . . . 25.0 110.964 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -60.2 -26.62 66.51 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.398 -2.183 . . . . 25.0 115.193 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -103.17 -14.55 16.33 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 -178.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.7 151.92 60.11 Favored Pre-proline 0 C--N 1.298 -1.639 0 CA-C-N 112.995 -1.911 . . . . 25.0 115.94 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.58 17.46 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.719 2.279 . . . . 25.0 112.807 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -108.32 8.54 27.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -173.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.13 -10.6 2.87 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 118.599 2.815 . . . . 25.0 118.599 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.6 -42.32 10.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 120.27 1.395 . . . . 25.0 112.07 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -87.92 -25.26 23.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.176 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.84 -59.69 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.386 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.81 -23.34 26.11 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.254 -3.364 . . . . 25.0 113.741 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.89 -36.49 77.07 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.426 0.557 . . . . 25.0 110.444 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -83.55 -42.67 16.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.596 0.712 . . . . 25.0 111.481 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.28 -41.13 77.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -172.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.39 -55.79 36.08 Favored Pre-proline 0 C--O 1.239 0.527 0 CA-C-N 119.327 0.967 . . . . 25.0 111.395 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.07 -19.8 34.18 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 114.022 -3.519 . . . . 25.0 114.858 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -71.46 -33.04 68.98 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.096 -0.377 . . . . 25.0 111.406 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 105.17 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.686 0.755 . . . . 25.0 112.506 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.14 -32.34 33.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -76.66 132.02 39.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 104.08 -2.563 . . . . 25.0 104.08 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -126.73 133.1 50.95 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.823 -2.288 . . . . 25.0 104.823 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.57 140.29 31.67 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -124.26 139.65 53.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.645 0.736 . . . . 25.0 112.245 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.2 m -112.79 159.24 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.993 -1.003 . . . . 25.0 111.171 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -129.68 115.31 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.151 -0.931 . . . . 25.0 108.721 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -109.04 134.13 52.07 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -130.38 113.66 14.61 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.7 mt -101.66 120.36 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -90.21 126.38 35.8 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.2 135.01 46.47 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.55 103.57 24.82 Favored Pre-proline 0 CA--C 1.491 -1.306 1 N-CA-C 97.314 -5.069 . . . . 50.0 97.314 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.44 -20.08 16.35 Favored 'Trans proline' 0 N--CA 1.451 -1.007 1 C-N-CA 106.488 -8.542 . . . . 25.0 115.016 -169.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.89 -28.34 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -115.38 -2.04 12.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.42 16.19 75.47 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 111.461 -0.656 . . . . 25.0 111.461 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -100.34 167.29 10.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.415 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.8 ptp -148.15 157.4 43.48 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 170.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -144.01 141.37 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.455 0.702 . . . . 25.0 110.102 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.67 115.74 6.16 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -90.94 -31.11 16.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.449 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -147.67 142.28 26.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 t -144.97 114.45 7.15 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 103.699 -2.704 . . . . 25.0 103.699 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -133.67 146.65 51.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.6 m -148.08 171.46 15.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 25.0 111.739 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -123.65 151.64 42.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -71.93 140.64 49.31 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.276 1.214 . . . . 25.0 114.276 -175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.566 -0.73 . . . . 25.0 109.591 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.375 0 N-CA-C 112.428 -0.269 . . . . 25.0 112.428 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.28 145.42 18.99 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 118.309 1.054 . . . . 25.0 114.673 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.2 ptp -148.85 137.11 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.76 141.19 31.59 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.31 153.15 30.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -75.28 156.15 35.94 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.58 -17.46 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.14 -27.79 62.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.959 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.283 1.0 OUTLIER -58.74 133.26 55.79 Favored 'General case' 0 CA--C 1.429 -3.675 0 N-CA-C 120.528 3.529 . . . . 25.0 120.528 176.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.15 -27.11 67.77 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 113.451 -1.704 . . . . 25.0 112.319 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.12 74.58 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.152 -0.779 . . . . 25.0 111.152 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.44 -48.15 15.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.255 0 CA-C-N 117.355 0.577 . . . . 50.0 110.064 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -53.19 -42.28 66.09 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.923 0.489 . . . . 25.0 111.982 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -26.97 68.31 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.48 -33.03 21.94 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.09 -62.9 1.43 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.58 -33.71 74.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.505 0.503 . . . . 25.0 111.124 -173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.49 -48.83 75.99 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.23 86.03 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.2 t -76.34 -36.55 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 105.891 -1.892 . . . . 50.0 105.891 -174.254 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.49 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.61 -35.75 92.45 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 107.962 -2.055 . . . . 25.0 107.962 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 76.9 tt0 -85.22 -28.67 25.25 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.232 1.015 . . . . 25.0 111.924 -176.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -86.73 -62.91 1.4 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -84.3 -52.55 6.13 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 112.269 -2.241 . . . . 25.0 112.182 -171.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -70.42 -30.71 67.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.992 -178.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.05 -32.18 66.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -75.02 155.97 36.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.945 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.55 51.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.436 0.636 . . . . 25.0 109.953 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -66.13 131.14 45.5 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.465 0.65 . . . . 25.0 109.598 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.6 mmt -70.07 -19.58 63.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.577 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -112.43 163.64 14.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -102.17 143.06 32.45 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -144.27 155.0 43.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.292 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.83 102.35 5.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 101.394 -3.558 . . . . 25.0 101.394 168.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.78 -45.62 74.34 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -151.31 129.41 11.85 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.2 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.23 126.46 39.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.45 -47.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -146.97 145.09 29.64 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.24 115.08 9.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.09 167.98 26.74 Favored 'General case' 0 CA--C 1.487 -1.443 0 CA-C-O 121.972 0.891 . . . . 25.0 112.58 -171.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.09 153.88 50.44 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 113.84 -1.527 . . . . 25.0 109.174 -175.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.71 119.0 26.81 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 105.365 -2.087 . . . . 25.0 105.365 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.1 mt -105.71 132.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 25.0 110.338 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.56 -154.91 9.52 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 106.808 -2.517 . . . . 25.0 106.808 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.17 70.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.877 0.839 . . . . 25.0 109.072 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.68 155.54 16.1 Favored Glycine 0 N--CA 1.446 -0.646 1 N-CA-C 102.773 -4.131 . . . . 25.0 102.773 173.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.87 134.33 64.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -127.34 129.36 47.48 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.093 -0.379 . . . . 25.0 110.857 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -104.72 135.05 46.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.428 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 29.1 m-85 -117.82 124.76 49.16 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.32 116.03 19.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -114.19 135.28 54.22 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 123.244 1.497 . . . . 25.0 109.14 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.3 141.7 19.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 N-CA-C 121.264 3.801 . . . . 50.0 121.264 -165.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -90.36 130.87 36.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.367 -1.742 . . . . 25.0 108.931 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.33 152.29 21.73 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.356 1.074 . . . . 25.0 112.085 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.76 169.59 42.56 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 104.388 -3.485 . . . . 25.0 104.388 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -112.98 139.31 48.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -112.74 148.68 34.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.011 0.434 . . . . 25.0 111.197 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -71.98 -29.24 64.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.858 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.77 165.68 11.08 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 p -105.54 174.83 5.71 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.937 -1.483 . . . . 25.0 108.119 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -60.32 -24.4 64.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.288 0.8 OUTLIER -104.79 -14.36 15.56 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 118.661 2.837 . . . . 25.0 118.661 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.44 147.5 48.81 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 112.508 -2.133 . . . . 25.0 113.04 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.6 28.38 0.41 Allowed 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.692 2.928 . . . . 25.0 113.808 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -129.82 9.99 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -172.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.82 -14.79 1.54 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 120.893 3.664 . . . . 25.0 120.893 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -42.27 10.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 120.806 1.639 . . . . 25.0 111.188 175.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -84.4 -30.59 25.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.199 -0.909 . . . . 25.0 112.318 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -60.71 9.7 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.536 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -70.54 -24.17 26.41 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 114.678 -3.082 . . . . 25.0 113.972 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.61 -37.19 77.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.374 0.534 . . . . 25.0 110.494 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -83.63 -43.14 15.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.348 0.594 . . . . 25.0 111.633 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.58 -44.45 74.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -57.57 -50.94 85.31 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 119.053 0.842 . . . . 25.0 112.601 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.08 -18.15 27.62 Favored 'Trans proline' 0 CA--C 1.541 0.852 1 C-N-CA 113.13 -4.113 . . . . 25.0 114.67 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -68.58 -28.19 66.72 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.608 -0.682 . . . . 25.0 110.197 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.57 80.36 1.08 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.929 0.871 . . . . 25.0 109.444 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -33.52 65.99 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -89.3 133.87 34.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 101.482 -3.525 . . . . 25.0 101.482 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.02 142.21 51.6 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.14 143.22 49.68 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.25 134.22 53.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.654 0.74 . . . . 25.0 109.114 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.45 158.04 28.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.523 -1.217 . . . . 25.0 110.058 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -129.78 131.03 46.09 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -118.96 132.44 56.08 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -123.27 112.56 17.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.318 -0.855 . . . . 25.0 108.8 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.69 118.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -90.3 127.86 36.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.275 -2.12 . . . . 25.0 105.275 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -105.63 134.44 48.74 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.64 103.05 29.97 Favored Pre-proline 0 C--N 1.309 -1.155 1 N-CA-C 96.547 -5.353 . . . . 50.0 96.547 -171.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.21 -23.05 13.83 Favored 'Trans proline' 0 N--CA 1.452 -0.913 1 C-N-CA 106.711 -8.393 . . . . 25.0 114.743 -168.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -62.63 -21.22 65.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 25.0 113.942 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.07 -4.47 12.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.693 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.52 75.63 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -105.34 167.08 9.97 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.9 ptp -148.13 157.69 43.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.7 m -142.78 140.74 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.105 0.562 . . . . 25.0 110.21 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -66.2 112.79 4.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 t -84.41 -32.05 24.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.359 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -154.36 142.85 20.67 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.188 0.518 . . . . 25.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 p -133.36 127.45 33.53 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 101.891 -3.374 . . . . 25.0 101.891 170.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -138.0 145.09 41.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 104.123 -2.547 . . . . 25.0 104.123 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.04 172.89 13.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -129.52 154.0 47.45 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.38 145.84 26.71 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.461 -1.257 . . . . 25.0 108.282 178.146 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.37 0 N-CA-C 114.379 0.512 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -73.68 145.56 37.19 Favored 'Trans proline' 0 C--N 1.343 0.268 0 CA-C-N 119.197 1.498 . . . . 25.0 115.676 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.91 146.83 28.07 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.5 149.63 23.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.04 158.59 38.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.823 -1.917 . . . . 25.0 105.823 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -78.7 161.88 26.58 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.61 -15.82 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.251 0.548 . . . . 50.0 111.0 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.7 -25.91 37.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.867 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 2.5 mp0 -50.3 135.99 20.76 Favored 'General case' 0 CA--C 1.452 -2.82 1 N-CA-C 122.514 4.264 . . . . 25.0 122.514 173.157 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -59.88 -35.11 74.14 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 112.491 -2.141 . . . . 25.0 110.607 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -24.3 76.87 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.25 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.2 t -88.42 -47.91 15.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-N 118.083 0.942 . . . . 50.0 110.697 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -54.15 -38.58 65.65 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -28.43 69.61 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 119.382 -0.927 . . . . 25.0 111.952 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.75 20.03 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 mt -55.97 -62.94 1.36 Allowed 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.5 -31.96 70.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.922 0.764 . . . . 25.0 110.274 -170.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.85 -47.75 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.81 88.52 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 31' ' ' VAL 0.292 1.0 OUTLIER -73.2 -39.31 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 105.017 -2.216 . . . . 50.0 105.017 -173.814 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.2 -37.4 94.46 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 108.6 -1.8 . . . . 25.0 108.6 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 82.9 tt0 -85.41 -29.43 24.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 122.131 0.967 . . . . 25.0 112.05 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -87.09 -62.86 1.41 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 123.791 1.757 . . . . 25.0 115.623 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -84.33 -51.74 6.74 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.206 -2.27 . . . . 25.0 112.106 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -71.41 -30.66 66.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.059 -0.518 . . . . 25.0 109.714 -178.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.78 -32.14 67.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -79.47 155.15 28.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.846 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -101.32 51.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.436 0.636 . . . . 25.0 110.284 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.21 126.6 29.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.33 -0.618 . . . . 25.0 109.33 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.66 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.637 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -99.36 148.92 23.68 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.56 112.5 23.1 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.139 -1.424 . . . . 25.0 113.085 -171.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -95.58 147.66 23.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 104.62 -2.363 . . . . 25.0 104.62 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -158.9 165.62 33.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.35 102.59 5.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.186 -2.894 . . . . 25.0 103.186 171.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.07 -43.53 34.02 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.829 0.824 . . . . 25.0 111.737 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -151.09 125.58 9.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.481 -1.236 . . . . 25.0 108.533 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.12 131.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.05 -43.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.611 -0.722 . . . . 50.0 109.055 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.73 139.99 33.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.02 109.98 6.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.57 168.81 24.34 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 121.251 0.548 . . . . 25.0 112.476 -177.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.19 151.71 35.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.518 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.2 tt0 -99.08 129.55 45.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.5 mm -101.2 138.3 25.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.359 -1.719 . . . . 25.0 106.359 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.83 -164.75 34.87 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 110.355 -1.098 . . . . 25.0 110.355 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.37 66.59 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.239 0.542 . . . . 25.0 109.959 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.86 11.16 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 104.379 -3.489 . . . . 25.0 104.379 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.06 114.98 47.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 118.032 0.916 . . . . 50.0 108.838 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.33 118.81 36.87 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.098 -0.376 . . . . 25.0 110.027 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -91.62 133.54 35.46 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 94.1 m-85 -123.34 117.6 25.62 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.11 116.05 17.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.886 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -111.98 139.26 47.63 Favored 'General case' 0 CA--C 1.48 -1.733 0 CA-C-O 123.411 1.577 . . . . 25.0 108.753 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 HG22 ' A' ' 49' ' ' VAL 0.338 0.9 OUTLIER -141.69 133.44 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 N-CA-C 120.637 3.569 . . . . 50.0 120.637 -168.277 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.54 135.93 33.39 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 112.858 -1.974 . . . . 25.0 107.782 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.1 mp -115.77 143.54 45.24 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.23 165.34 30.79 Favored Glycine 0 N--CA 1.439 -1.136 1 N-CA-C 102.965 -4.054 . . . . 25.0 102.965 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -125.78 133.08 52.15 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -88.64 142.88 27.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.3 p -75.82 -17.81 59.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.494 0.664 . . . . 25.0 109.562 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.7 m -99.98 160.54 14.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.628 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -131.1 178.26 6.83 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.379 -172.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.35 -27.33 62.16 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.096 1.887 . . . . 25.0 116.096 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.307 0.8 OUTLIER -107.17 -15.35 14.69 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 116.17 1.915 . . . . 25.0 116.17 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.628 ' HB2' ' H ' ' A' ' 74' ' ' THR . 89.2 mm-40 -83.21 153.56 66.2 Favored Pre-proline 0 C--N 1.298 -1.661 0 CA-C-N 111.466 -2.606 . . . . 25.0 108.718 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.93 177.23 9.0 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 121.571 1.514 . . . . 25.0 114.875 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 61.79 41.9 11.22 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.63 -14.64 45.56 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -42.13 15.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 122.336 1.065 . . . . 25.0 109.525 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -86.9 -35.52 18.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.5 m -63.88 -58.97 12.61 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.607 -0.837 . . . . 25.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -65.31 -26.12 56.38 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.596 -3.136 . . . . 25.0 114.771 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.78 -40.05 82.84 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.539 0.609 . . . . 25.0 110.282 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -84.49 -30.05 25.51 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.33 -36.17 82.23 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.709 -0.619 . . . . 25.0 112.136 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.59 -55.26 44.17 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -21.72 58.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 114.649 -3.101 . . . . 25.0 114.443 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -70.23 -15.24 62.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 111.197 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.29 63.6 1.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.309 0.576 . . . . 25.0 110.716 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -68.49 -32.04 71.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 104.917 -2.253 . . . . 25.0 104.917 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -84.24 105.81 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.085 -2.191 . . . . 25.0 105.085 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.86 136.59 34.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' HB1' HE21 ' A' ' 118' ' ' GLN . . . -143.14 124.07 14.33 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -124.33 141.79 51.79 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 68' ' ' LEU . 95.1 m -98.74 160.13 14.48 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 125.334 1.454 . . . . 25.0 108.282 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -129.71 124.25 33.09 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -117.28 127.13 53.77 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.51 117.46 19.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mt -109.48 124.95 66.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -93.22 124.2 37.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.92 133.66 45.07 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 103.156 -2.905 . . . . 25.0 103.156 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -102.25 103.24 29.43 Favored Pre-proline 0 N--CA 1.436 -1.139 1 N-CA-C 95.47 -5.752 . . . . 50.0 95.47 -173.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.21 -24.03 12.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.52 -8.52 . . . . 25.0 114.417 -170.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -59.58 -28.93 67.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.589 -1.187 . . . . 25.0 113.474 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -108.34 -5.48 16.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.798 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.37 17.24 79.72 Favored Glycine 0 C--O 1.228 -0.268 0 CA-C-O 122.117 0.843 . . . . 25.0 111.452 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -109.91 167.36 10.22 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 33.3 mtt -148.11 157.45 43.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.1 m -142.0 137.63 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.011 0.524 . . . . 25.0 109.75 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.97 102.31 1.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -79.7 -30.65 41.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -146.13 132.16 19.27 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.06 0.457 . . . . 25.0 111.457 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 117.07 17.88 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 171.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.18 154.24 50.81 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.392 -2.447 . . . . 25.0 104.392 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.6 179.74 6.64 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.607 0.718 . . . . 25.0 111.495 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.442 HE21 ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -106.53 160.09 15.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -170.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.39 151.63 44.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.452 -1.684 . . . . 25.0 106.452 170.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 117.95 -1.024 . . . . 25.0 109.858 178.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.623 0 N-CA-C 110.662 -0.975 . . . . 25.0 110.662 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.4 143.81 15.71 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 117.149 -1.434 . . . . 25.0 113.057 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -148.91 150.25 32.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.97 147.54 22.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 150.69 43.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 103.122 -2.918 . . . . 25.0 103.122 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.0 p -78.99 158.34 27.96 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.962 -0.563 . . . . 25.0 109.652 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.87 -15.42 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.511 0.672 . . . . 50.0 110.463 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -82.54 -25.98 32.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.006 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.301 2.6 mp0 -53.43 132.14 39.22 Favored 'General case' 0 CA--C 1.432 -3.57 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.39 -24.89 63.93 Favored 'General case' 0 N--CA 1.406 -2.666 0 C-N-CA 117.352 -1.739 . . . . 25.0 111.075 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.7 -23.25 73.93 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.771 -0.932 . . . . 25.0 110.771 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -88.58 -44.64 15.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -53.3 -42.85 67.03 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.53 69.37 Favored 'General case' 0 C--O 1.198 -1.616 0 C-N-CA 119.84 -0.744 . . . . 25.0 112.831 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.49 -32.71 22.09 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.91 -62.77 1.57 Allowed 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.23 -33.43 75.34 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.915 0.759 . . . . 25.0 110.477 -173.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.62 -49.66 74.34 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.47 76.58 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -75.9 -36.67 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.951 -1.87 . . . . 50.0 105.951 -173.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -60.93 -38.54 95.6 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 108.027 -2.029 . . . . 25.0 108.027 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 52.8 mt-10 -85.48 -26.79 26.08 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-O 122.818 1.294 . . . . 25.0 113.587 -176.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -87.11 -62.95 1.39 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 116.413 2.005 . . . . 25.0 116.413 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -83.67 -53.48 5.61 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 112.726 -2.034 . . . . 25.0 112.961 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.89 -31.82 71.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.957 -178.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -74.86 153.28 38.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.754 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -87.03 55.03 3.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.586 0.708 . . . . 25.0 110.195 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -67.03 129.36 39.65 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.856 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mtp -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.08 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -123.7 164.08 19.83 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.94 112.91 21.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 m -117.94 142.83 46.92 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.1 159.55 44.33 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.899 -0.321 . . . . 25.0 110.998 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.27 102.13 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 169.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.74 -49.56 45.6 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.756 0.789 . . . . 25.0 110.829 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -148.07 129.86 15.16 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 113.943 -1.481 . . . . 25.0 107.949 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.635 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.34 129.42 37.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.586 -1.264 . . . . 50.0 107.586 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -87.05 -44.02 16.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.058 -1.09 . . . . 50.0 108.058 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -142.99 140.62 31.1 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 117.86 12.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 106.884 -1.524 . . . . 25.0 106.884 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.63 167.77 27.8 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-O 121.596 0.712 . . . . 25.0 112.145 -172.627 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.73 143.06 33.33 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.649 -1.159 . . . . 25.0 110.324 -174.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -113.99 115.91 28.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.51 -2.404 . . . . 25.0 104.51 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.19 134.56 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.97 -160.19 25.62 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 108.58 -1.808 . . . . 25.0 108.58 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.79 68.61 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 117.687 0.744 . . . . 25.0 109.996 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.59 145.78 17.0 Favored Glycine 0 N--CA 1.448 -0.505 1 N-CA-C 101.119 -4.792 . . . . 25.0 101.119 172.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 83.5 t -121.6 132.68 70.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 CA-C-N 118.66 1.23 . . . . 50.0 108.075 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -125.88 136.24 52.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -105.66 137.42 43.54 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 104.251 -2.5 . . . . 25.0 104.251 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.42 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.5 m-85 -123.1 132.14 53.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.942 -2.244 . . . . 25.0 104.942 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -138.14 116.97 12.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -114.72 135.56 54.03 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 123.488 1.614 . . . . 25.0 108.508 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.66 141.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 120.869 3.655 . . . . 50.0 120.869 -164.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.02 136.58 33.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.498 -1.683 . . . . 25.0 108.599 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.57 149.46 32.71 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.124 0.964 . . . . 25.0 113.134 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.99 161.02 34.39 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 103.872 -3.691 . . . . 25.0 103.872 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -95.06 139.63 31.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 p -94.64 143.02 26.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -174.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.3 p -75.22 -17.75 60.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.96 154.89 18.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.617 0.723 . . . . 25.0 111.859 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.516 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 21.4 p -95.77 173.42 7.47 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 174.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -62.75 -17.0 60.2 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 115.659 1.725 . . . . 25.0 115.659 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.25 -14.29 13.84 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 119.013 2.968 . . . . 25.0 119.013 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 74' ' ' THR . 18.5 mm-40 -53.78 146.86 25.14 Favored Pre-proline 0 C--N 1.295 -1.79 0 CA-C-N 112.251 -2.25 . . . . 25.0 113.354 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.88 0.66 9.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 121.389 1.393 . . . . 25.0 115.519 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -123.2 40.0 3.82 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.987 1.477 . . . . 25.0 114.987 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.37 -14.19 25.58 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.916 1.821 . . . . 25.0 115.916 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -84.26 -42.23 16.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.051 0.929 . . . . 25.0 109.392 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -78.87 -39.02 36.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.54 -61.13 8.58 Favored Pre-proline 0 C--O 1.215 -0.737 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -67.34 -21.37 47.5 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 114.642 -3.105 . . . . 25.0 114.431 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.52 -38.27 90.43 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -83.55 -33.21 25.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.85 -42.66 99.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.916 0.486 . . . . 25.0 111.611 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.82 -56.18 38.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.45 -17.18 34.6 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 114.707 -3.062 . . . . 25.0 114.532 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.56 -29.09 69.07 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.6 85.59 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.291 0.567 . . . . 25.0 112.336 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -76.91 -32.73 57.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 173.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -95.22 136.02 36.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 101.515 -3.513 . . . . 25.0 101.515 171.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -127.12 148.37 50.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.93 136.79 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -124.24 138.35 54.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 40.2 m -104.58 159.77 15.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.664 -1.153 . . . . 25.0 111.367 172.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 m -129.82 118.14 21.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.62 136.68 51.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 51.9 tt0 -130.34 118.01 20.62 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.4 mt -107.2 120.31 58.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -90.44 123.17 33.94 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.473 -2.047 . . . . 25.0 105.473 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.71 133.61 44.92 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.537 -2.394 . . . . 25.0 104.537 178.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.89 103.09 31.33 Favored Pre-proline 0 CA--C 1.49 -1.363 1 N-CA-C 97.78 -4.896 . . . . 50.0 97.78 -171.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.41 -19.11 17.32 Favored 'Trans proline' 0 N--CA 1.45 -1.037 1 C-N-CA 106.571 -8.486 . . . . 25.0 114.716 -170.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.05 -29.03 59.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -117.22 -1.99 11.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.07 78.74 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-O 122.232 0.906 . . . . 25.0 111.365 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 p -101.63 167.25 10.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.109 0.964 . . . . 25.0 109.32 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.08 157.6 43.6 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 169.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 m -143.7 139.54 29.56 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.331 0.653 . . . . 25.0 109.461 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.4 114.21 4.65 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -88.83 -27.77 20.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.543 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 9.0 ttmt -152.15 138.1 18.11 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.83 107.97 5.48 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.746 -2.316 . . . . 25.0 104.746 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -130.92 148.83 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 2.4 t -155.59 178.24 10.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -116.58 150.88 37.31 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -66.56 137.15 56.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.643 0.201 . . . . 25.0 110.912 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.479 0 CA-C-O 117.583 -1.199 . . . . 25.0 110.32 -175.56 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.469 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -79.7 146.95 19.21 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 CA-C-N 119.443 1.622 . . . . 25.0 115.309 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ptm -148.91 139.98 23.03 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 140.97 31.69 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 173.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.32 163.84 15.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -69.32 144.73 53.43 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.582 ' HA ' HG11 ' A' ' 23' ' ' VAL . 11.4 m -68.65 -16.65 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.61 1.095 . . . . 50.0 109.013 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.05 -5.91 56.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.23 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.07 140.76 56.64 Favored 'General case' 0 CA--C 1.426 -3.809 0 N-CA-C 116.709 2.114 . . . . 25.0 116.709 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -70.3 -29.47 66.23 Favored 'General case' 0 N--CA 1.4 -2.927 0 C-N-CA 116.749 -1.981 . . . . 25.0 111.553 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.52 -24.93 73.91 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 110.122 -1.191 . . . . 25.0 110.122 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 18' ' ' VAL . 47.3 t -85.34 -47.79 16.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 CA-C-N 117.466 0.633 . . . . 50.0 110.617 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -48.36 -48.51 36.5 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.645 0.657 . . . . 25.0 112.542 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -28.35 69.64 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 112.883 0.698 . . . . 25.0 112.883 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB1' HD21 ' A' ' 64' ' ' LEU . . . -85.56 -34.13 21.56 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -176.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.5 mt -61.62 -56.19 22.48 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.5 -30.75 63.32 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.505 0.503 . . . . 25.0 110.04 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.61 -48.1 78.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.42 -47.87 66.07 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.271 1.1 t -74.65 -37.8 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 106.876 -1.528 . . . . 50.0 106.876 -174.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.0 -35.75 92.53 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 108.143 -1.983 . . . . 25.0 108.143 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 2.3 tt0 -85.52 -28.62 24.82 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.607 1.194 . . . . 25.0 111.752 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.82 -62.98 1.38 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 116.117 1.895 . . . . 25.0 116.117 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -84.22 -52.54 6.16 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 112.83 -1.986 . . . . 25.0 111.579 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -71.08 -28.91 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.668 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.9 -32.01 65.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -76.78 159.28 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -63.54 126.1 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.093 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.3 101.43 6.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -92.64 -35.18 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.528 0.68 . . . . 25.0 110.19 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -147.29 136.73 22.68 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.885 -3.006 . . . . 25.0 102.885 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 112.56 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.895 0.747 . . . . 25.0 109.941 -177.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -130.23 136.38 49.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -150.98 164.37 36.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.088 -0.383 . . . . 25.0 111.974 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.45 102.29 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.01 -47.81 27.23 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 122.174 0.988 . . . . 25.0 111.388 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -140.04 121.57 15.17 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 113.968 -1.469 . . . . 25.0 109.1 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.98 128.57 38.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.1 t -87.32 -44.1 15.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -144.66 146.61 32.34 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.96 115.84 8.77 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -148.37 162.42 39.59 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-O 121.503 0.668 . . . . 25.0 110.471 -173.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -131.77 164.87 25.06 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.801 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -131.05 118.56 20.74 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.461 -2.052 . . . . 25.0 105.461 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.02 131.23 53.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.615 -0.513 . . . . 25.0 109.615 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -157.98 17.31 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 106.759 -2.536 . . . . 25.0 106.759 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.6 -25.41 68.22 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.896 0.848 . . . . 25.0 110.038 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.16 154.06 16.82 Favored Glycine 0 N--CA 1.449 -0.493 1 N-CA-C 102.683 -4.167 . . . . 25.0 102.683 174.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.07 133.58 67.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 CA-C-N 118.602 1.201 . . . . 50.0 108.421 -176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -121.72 139.31 53.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -111.75 115.96 29.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.155 -1.795 . . . . 25.0 106.155 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.444 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.1 m-85 -106.78 120.93 43.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 HD21 ' HB1' ' A' ' 26' ' ' ALA . 1.4 mm? -121.29 132.01 54.55 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.72 131.01 56.13 Favored 'General case' 0 CA--C 1.482 -1.655 0 CA-C-O 123.754 1.74 . . . . 25.0 106.396 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.618 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.12 138.38 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 N-CA-C 121.424 3.861 . . . . 50.0 121.424 -166.207 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -94.59 119.0 32.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.339 -2.209 . . . . 25.0 105.905 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.95 140.94 29.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.942 -1.027 . . . . 25.0 108.649 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.74 179.16 27.69 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.852 -1.699 . . . . 25.0 108.852 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -132.03 163.46 28.37 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.329 0.252 . . . . 25.0 110.57 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -119.86 142.87 48.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 p -82.75 -20.09 36.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 25.0 110.444 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.39 160.31 14.44 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.989 0.899 . . . . 25.0 111.702 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -105.82 177.07 4.96 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.975 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.28 -22.97 63.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.266 0.8 OUTLIER -107.33 -14.41 14.89 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 117.558 2.429 . . . . 25.0 117.558 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -60.17 153.58 56.39 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 111.988 -2.369 . . . . 25.0 111.648 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.83 165.35 32.46 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 N-CA-C 113.492 0.535 . . . . 25.0 113.492 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.92 62.43 2.24 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.579 2.066 . . . . 25.0 116.579 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.87 -10.79 6.14 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -42.34 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.382 1.087 . . . . 25.0 110.7 177.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.89 -39.31 14.89 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.26 -54.12 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 119.769 -0.773 . . . . 25.0 111.015 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 87.7 Cg_endo -70.21 -23.02 29.2 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 113.892 -3.605 . . . . 25.0 114.21 177.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.9 -38.36 82.06 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 118.785 0.72 . . . . 25.0 109.442 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -84.64 -20.16 31.77 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 36.5 m-20 -71.7 -37.85 70.64 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.962 -0.462 . . . . 25.0 110.453 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.44 -54.79 47.1 Favored Pre-proline 0 N--CA 1.469 0.52 0 O-C-N 121.406 -0.809 . . . . 25.0 113.085 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -71.15 -11.44 28.93 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 115.391 -2.606 . . . . 25.0 114.268 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -73.78 -32.15 63.65 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.68 77.87 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.57 0.7 . . . . 25.0 109.723 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -13.62 59.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.525 0.678 . . . . 25.0 110.102 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -125.19 125.86 44.31 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 100.953 -3.721 . . . . 25.0 100.953 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -122.89 139.93 53.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 103.586 -2.746 . . . . 25.0 103.586 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.55 145.09 29.94 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 50.2 p90 -117.56 133.16 56.26 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -130.47 160.13 35.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.107 -1.406 . . . . 25.0 111.264 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -128.12 128.84 45.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -124.44 119.57 29.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.221 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -112.38 112.65 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.11 122.91 52.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 105.892 -1.892 . . . . 25.0 105.892 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -90.23 125.07 35.36 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 104.914 -2.254 . . . . 25.0 104.914 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.85 132.87 48.74 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 104.409 -2.441 . . . . 25.0 104.409 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.9 103.25 27.88 Favored Pre-proline 0 N--CA 1.434 -1.25 1 N-CA-C 97.258 -5.09 . . . . 50.0 97.258 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.4 -21.78 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.929 1 C-N-CA 106.464 -8.557 . . . . 25.0 115.108 -168.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -59.26 -32.08 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.262 -0.881 . . . . 25.0 112.71 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -107.68 -2.53 20.06 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.369 -0.207 . . . . 25.0 111.377 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.93 75.8 Favored Glycine 0 N--CA 1.459 0.205 0 CA-C-O 122.081 0.823 . . . . 25.0 111.714 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -101.76 167.48 10.06 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 12.5 ptm -148.21 157.47 43.51 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 170.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -149.22 140.69 23.34 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.217 0.607 . . . . 25.0 110.354 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.44 112.88 3.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.48 0.657 . . . . 25.0 110.155 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -88.7 -32.46 17.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.881 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -144.96 131.78 20.13 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.129 0.49 . . . . 25.0 110.03 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.57 118.78 18.65 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.195 -2.52 . . . . 25.0 104.195 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -135.3 148.39 49.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.52 172.52 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 5.7 mm-40 -118.05 160.18 21.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.959 -1.473 . . . . 25.0 109.093 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.79 151.64 41.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.315 0.646 . . . . 25.0 112.13 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 N-CA-C 103.816 -2.661 . . . . 25.0 103.816 174.395 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.211 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.66 152.31 69.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 116.949 -1.567 . . . . 25.0 111.599 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.1 ptm -138.96 142.59 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.24 147.4 28.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 174.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 155.76 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -74.73 153.96 38.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' HG11 ' A' ' 23' ' ' VAL . 19.5 m -65.5 -21.52 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.323 0.582 . . . . 50.0 109.523 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.3 -23.77 54.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.259 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.269 1.2 mp0 -52.45 134.74 34.53 Favored 'General case' 0 CA--C 1.428 -3.738 0 N-CA-C 118.446 2.758 . . . . 25.0 118.446 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -70.69 -24.18 62.62 Favored 'General case' 0 N--CA 1.403 -2.821 0 C-N-CA 116.686 -2.006 . . . . 25.0 111.897 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.77 -25.39 73.0 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.123 -1.191 . . . . 25.0 110.123 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.0 t -88.48 -47.01 15.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 117.44 0.62 . . . . 50.0 109.558 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -50.91 -46.02 60.59 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -25.37 68.15 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -36.5 20.32 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -62.1 2.02 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.32 -27.99 62.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.988 -170.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.33 -45.49 69.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.98 71.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.1 t -72.22 -39.7 64.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.117 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -61.77 -37.86 94.99 Favored Glycine 0 C--O 1.205 -1.682 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.0 tt0 -85.3 -28.0 25.57 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.429 1.109 . . . . 25.0 111.952 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -86.5 -63.01 1.38 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 123.856 1.789 . . . . 25.0 115.521 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -84.49 -51.61 6.78 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.216 -2.265 . . . . 25.0 112.682 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.53 -31.36 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.748 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.91 -32.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -77.27 152.07 34.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.832 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.67 53.73 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.616 0.722 . . . . 25.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -66.48 128.5 36.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.735 -0.666 . . . . 25.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.2 mtm -70.22 -19.45 63.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.631 -0.713 . . . . 25.0 110.774 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -116.78 164.67 14.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 177.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -109.38 137.31 47.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.17 160.01 41.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.446 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 102.24 1.63 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.5 -2.407 . . . . 25.0 104.5 170.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -48.1 56.67 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.958 0.885 . . . . 25.0 111.953 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -148.86 128.72 13.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.125 -1.398 . . . . 25.0 108.674 -171.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.78 131.09 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 t -91.91 -42.0 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 50.0 109.233 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -144.56 143.66 30.92 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.88 5.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 25.0 109.522 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -151.5 168.86 23.56 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.828 0.823 . . . . 25.0 113.204 -175.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 139.25 50.29 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.089 -1.414 . . . . 25.0 111.627 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -98.82 130.31 45.25 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.8 mt -98.94 138.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.765 -1.569 . . . . 25.0 106.765 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.05 -159.46 32.01 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 109.611 -1.395 . . . . 25.0 109.611 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.21 -1.21 16.82 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.835 0.826 . . . . 25.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -152.84 158.77 28.08 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 101.612 -4.595 . . . . 25.0 101.612 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.4 t -122.06 124.59 71.56 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 118.581 1.19 . . . . 50.0 109.025 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -110.61 124.0 51.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.099 0.476 . . . . 25.0 109.798 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -92.03 111.25 22.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 74.4 m-85 -98.54 117.01 32.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -128.5 114.31 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.493 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -109.28 138.64 45.32 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 123.219 1.485 . . . . 25.0 108.196 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -150.23 141.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 120.644 3.572 . . . . 50.0 120.644 -166.004 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -90.36 132.8 35.39 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.328 -1.76 . . . . 25.0 108.051 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.49 146.42 37.29 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.284 1.04 . . . . 25.0 111.064 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.94 158.16 29.44 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 105.527 -3.029 . . . . 25.0 105.527 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -87.71 128.5 35.3 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 105.045 -2.206 . . . . 25.0 105.045 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 p -92.51 149.98 21.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.384 0.611 . . . . 25.0 111.765 -175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 p -76.74 -12.94 60.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.706 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.76 144.86 28.34 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.766 0.793 . . . . 25.0 109.017 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.46 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 17.8 p -90.69 175.71 6.93 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -62.67 -17.96 61.52 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -110.49 -14.74 14.04 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 118.951 2.945 . . . . 25.0 118.951 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.46 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.4 mm100 -53.12 147.5 17.19 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 112.495 -2.139 . . . . 25.0 114.425 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -83.74 10.23 3.77 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.112 1.875 . . . . 25.0 116.199 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -127.14 35.36 4.59 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.0 -10.56 6.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 117.87 2.544 . . . . 25.0 117.87 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -42.26 13.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.71 1.141 . . . . 25.0 109.644 173.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -38.25 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.959 -1.019 . . . . 25.0 113.324 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -59.07 -60.1 11.65 Favored Pre-proline 0 C--O 1.215 -0.749 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.942 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 74.3 Cg_endo -66.26 -23.18 52.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 114.749 -3.034 . . . . 25.0 113.77 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.44 -50.44 73.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -84.71 -19.51 32.64 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 88.5 m-20 -69.69 -34.74 74.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.231 -0.918 . . . . 25.0 109.944 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -57.26 -58.12 20.16 Favored Pre-proline 0 N--CA 1.47 0.566 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -66.82 -25.86 45.34 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 114.536 -3.176 . . . . 25.0 114.647 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -82.47 4.57 23.76 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.76 91.89 3.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.868 -0.789 . . . . 25.0 108.868 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -14.02 54.54 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.628 -0.715 . . . . 25.0 110.832 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -138.18 133.46 33.32 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -105.51 138.49 41.62 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -119.8 135.39 54.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.404 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 40.2 p90 -124.0 140.08 53.33 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 177.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.88 160.14 32.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.993 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.4 m -129.78 122.25 28.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -115.71 135.46 54.02 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.75 109.24 10.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.6 mt -100.41 120.39 49.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.56 121.95 32.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.23 135.79 41.12 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.25 -2.5 . . . . 25.0 104.25 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -100.82 103.28 23.64 Favored Pre-proline 0 C--O 1.252 1.212 1 N-CA-C 96.215 -5.476 . . . . 50.0 96.215 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.16 -21.43 15.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 106.672 -8.418 . . . . 25.0 114.299 -169.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -62.27 -18.63 61.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.367 1.247 . . . . 25.0 114.367 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -121.75 -2.5 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.54 14.96 75.14 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-O 121.914 0.73 . . . . 25.0 111.844 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -102.52 167.21 10.08 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.901 0.88 . . . . 25.0 108.877 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.3 ptt? -148.34 157.5 43.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 170.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -143.61 139.94 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.295 0.638 . . . . 25.0 109.999 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.1 114.97 5.64 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -89.83 -31.33 17.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.306 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.1 140.66 24.5 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 p -143.44 110.61 5.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.709 -2.33 . . . . 25.0 104.709 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -127.11 147.65 50.17 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.718 -1.956 . . . . 25.0 105.718 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.75 169.22 20.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 9.3 mm100 -115.93 158.2 23.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.646 -1.161 . . . . 25.0 108.64 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.42 151.52 23.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . . . . . . 0 C--O 1.246 0.912 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.432 0 N-CA-C 109.686 -1.365 . . . . 25.0 109.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 85.8 Cg_endo -74.41 145.03 33.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 CA-C-N 119.186 1.493 . . . . 25.0 112.932 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ptm -148.65 155.57 41.23 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.12 143.85 26.89 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.66 158.3 25.77 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 107.496 -1.298 . . . . 25.0 107.496 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 155.93 39.52 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.0 m -67.85 -20.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.393 0.616 . . . . 50.0 109.81 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -70.77 -25.66 62.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.358 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.276 0.6 OUTLIER -55.21 137.45 47.15 Favored 'General case' 0 CA--C 1.448 -2.974 1 N-CA-C 122.34 4.2 . . . . 25.0 122.34 176.964 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.86 -34.44 74.6 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 112.475 -2.148 . . . . 25.0 112.206 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.73 77.74 Favored Glycine 0 C--O 1.222 -0.596 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.144 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.4 t -88.39 -54.55 7.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 CA-C-O 118.818 -0.61 . . . . 50.0 111.922 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtm105 -50.7 -44.87 58.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -28.7 68.4 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -35.49 21.1 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.4 mt -62.57 -58.93 5.78 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -66.04 -33.59 76.14 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -65.42 -47.96 74.43 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.8 79.21 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 31' ' ' VAL 0.264 1.1 t -77.22 -36.45 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 105.58 -2.007 . . . . 50.0 105.58 -174.347 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -64.21 -34.54 90.2 Favored Glycine 0 C--O 1.211 -1.308 0 N-CA-C 107.669 -2.172 . . . . 25.0 107.669 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 55.8 tt0 -85.67 -28.9 24.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 122.159 0.981 . . . . 25.0 112.02 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -87.47 -62.98 1.38 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 115.806 1.78 . . . . 25.0 115.806 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -83.98 -54.85 4.57 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 112.271 -2.24 . . . . 25.0 111.067 -170.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.604 -178.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.01 -32.16 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.6 m -77.16 156.05 31.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.784 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -90.11 54.97 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.561 0.696 . . . . 25.0 109.497 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -66.42 131.77 46.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.566 0.698 . . . . 25.0 109.687 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.15 -15.03 62.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.59 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -123.98 163.79 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -81.41 112.46 18.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.7 m -117.53 144.11 45.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.439 -0.949 . . . . 25.0 108.439 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -146.45 161.53 40.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.581 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -73.99 102.18 4.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 100.296 -3.964 . . . . 25.0 100.296 165.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.06 -50.46 54.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 121.809 0.814 . . . . 25.0 110.447 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -143.63 121.67 12.12 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 113.872 -1.513 . . . . 25.0 109.736 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.98 126.57 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 106.209 -1.775 . . . . 50.0 106.209 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 t -84.61 -45.33 17.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 106.572 -1.64 . . . . 50.0 106.572 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -146.21 147.01 31.0 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.857 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.66 120.46 13.48 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.04 165.25 22.59 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 113.537 0.939 . . . . 25.0 113.537 -171.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 140.91 21.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.53 -1.668 . . . . 25.0 109.842 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.6 tm0? -98.75 129.39 45.18 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mt -100.19 139.66 21.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.15 -155.68 26.24 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 108.763 -1.735 . . . . 25.0 108.763 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -23.89 63.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.467 0.634 . . . . 25.0 109.358 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 163.29 17.43 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 104.144 -3.582 . . . . 25.0 104.144 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -128.15 129.85 69.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 CA-C-N 118.416 1.108 . . . . 50.0 108.42 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -127.12 117.0 21.53 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.111 -0.368 . . . . 25.0 110.284 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -91.78 137.93 31.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -122.29 132.37 54.38 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -127.44 131.36 50.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -121.54 130.23 53.4 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 123.483 1.611 . . . . 25.0 107.382 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.06 143.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 121.476 3.88 . . . . 50.0 121.476 -165.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -92.18 129.64 38.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.343 -1.753 . . . . 25.0 109.464 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 150.92 22.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.253 1.025 . . . . 25.0 111.505 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.63 -178.95 44.9 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 104.136 -3.586 . . . . 25.0 104.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -123.93 144.19 49.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.6 p -95.47 142.84 27.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.5 p -77.97 -21.29 51.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.146 0.498 . . . . 25.0 110.385 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.4 p -99.7 179.36 4.56 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.788 0.804 . . . . 25.0 111.549 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 p -117.2 169.28 9.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.889 -1.05 . . . . 25.0 111.577 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -60.46 -24.05 64.93 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 115.595 1.702 . . . . 25.0 115.595 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.277 0.8 OUTLIER -104.69 -14.87 15.44 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 118.07 2.619 . . . . 25.0 118.07 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.37 153.29 69.59 Favored Pre-proline 0 C--N 1.298 -1.648 0 CA-C-N 112.525 -2.125 . . . . 25.0 114.256 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.0 17.38 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 122.666 2.244 . . . . 25.0 117.6 -173.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -131.73 32.96 4.05 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.3 1.593 . . . . 25.0 115.3 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.64 -15.93 13.89 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 118.76 2.874 . . . . 25.0 118.76 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -42.22 10.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 119.983 1.265 . . . . 25.0 111.479 176.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -88.39 -34.5 17.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -172.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -55.67 38.5 Favored Pre-proline 0 C--N 1.321 -0.673 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.379 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.8 Cg_endo -68.57 -25.66 34.53 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 113.491 -3.872 . . . . 25.0 113.489 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.66 -38.62 81.96 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.103 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -83.18 -27.5 30.0 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 21.1 m-20 -68.89 -37.56 79.1 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.754 -0.591 . . . . 25.0 112.019 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -54.44 -57.23 19.61 Favored Pre-proline 0 C--N 1.323 -0.556 0 C-N-CA 119.277 -0.969 . . . . 25.0 111.876 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.36 -20.1 37.15 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 114.738 -3.042 . . . . 25.0 115.039 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 17.2 t-160 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.742 -0.599 . . . . 25.0 109.801 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 103.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.455 0.645 . . . . 25.0 111.409 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -32.38 60.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -87.53 134.68 33.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -116.38 110.03 18.13 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.13 141.18 28.88 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 103.72 -2.696 . . . . 25.0 103.72 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -122.46 139.5 53.8 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.15 157.04 46.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.234 -0.893 . . . . 25.0 111.612 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -129.74 128.69 42.97 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -121.42 137.4 54.73 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -130.26 122.44 28.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.78 118.09 57.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -90.29 126.11 35.73 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.79 135.91 45.28 Favored 'General case' 0 CA--C 1.49 -1.335 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.19 103.0 23.09 Favored Pre-proline 0 N--CA 1.436 -1.154 1 N-CA-C 94.809 -5.997 . . . . 50.0 94.809 -173.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.1 -24.91 12.21 Favored 'Trans proline' 0 N--CA 1.455 -0.742 1 C-N-CA 106.763 -8.358 . . . . 25.0 113.982 -169.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -62.19 -34.03 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.735 -1.12 . . . . 25.0 112.415 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -97.69 -3.39 39.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.656 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.38 24.14 75.01 Favored Glycine 0 N--CA 1.461 0.341 0 CA-C-O 122.303 0.946 . . . . 25.0 112.259 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.94 167.37 14.79 Favored 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 124.241 1.017 . . . . 25.0 108.966 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 26.2 ptt? -148.28 157.27 43.39 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 170.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.6 m -139.27 139.46 37.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.3 0.64 . . . . 25.0 110.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.27 112.88 3.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.395 0.617 . . . . 25.0 109.38 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -85.01 -25.77 27.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.502 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.69 145.75 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.764 0.316 . . . . 25.0 110.547 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.29 115.73 8.07 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -132.53 145.3 51.04 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 105.655 -1.979 . . . . 25.0 105.655 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.71 169.24 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -121.47 155.27 35.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.703 -1.962 . . . . 25.0 105.703 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.2 151.47 23.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.352 0 CA-C-O 117.353 -1.308 . . . . 25.0 108.112 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.407 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.89 142.39 35.0 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 113.776 -3.682 . . . . 25.0 110.897 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.28 147.23 30.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.52 142.68 29.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.03 158.64 26.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.82 155.64 38.59 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.539 ' HA ' HG11 ' A' ' 23' ' ' VAL . 16.0 m -66.14 -17.66 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.737 0.78 . . . . 50.0 110.588 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.96 -23.04 48.6 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.51 -1.223 . . . . 25.0 111.649 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 144.55 25.25 Favored 'General case' 0 CA--C 1.455 -2.704 0 N-CA-C 121.397 3.851 . . . . 25.0 121.397 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -61.22 -37.73 84.08 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 113.082 -1.872 . . . . 25.0 110.776 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.23 -22.86 78.54 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 114.379 -1.282 . . . . 25.0 112.187 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 18' ' ' VAL . 91.1 t -87.41 -50.01 14.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 CA-C-N 118.01 0.905 . . . . 50.0 110.715 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -50.93 -43.47 60.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.845 1.202 . . . . 25.0 113.522 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -25.75 68.23 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.23 -37.51 20.0 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.61 -62.58 1.63 Allowed 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.96 -32.07 72.24 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 123.846 0.716 . . . . 25.0 109.71 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.46 -47.99 71.35 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.2 79.58 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.288 1.2 t -72.8 -39.12 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.141 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.35 -37.08 94.28 Favored Glycine 0 N--CA 1.437 -1.282 0 N-CA-C 107.971 -2.052 . . . . 25.0 107.971 -175.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 8.9 tt0 -85.19 -28.4 25.47 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.266 1.032 . . . . 25.0 112.032 -176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -87.01 -62.77 1.43 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -83.94 -52.01 6.69 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 112.869 -1.968 . . . . 25.0 112.037 -171.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -70.99 -30.73 67.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 25.0 109.641 -178.345 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.6 -31.98 65.6 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 t -79.49 159.45 26.94 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.032 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -99.87 55.43 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.42 0.629 . . . . 25.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -64.79 130.08 42.18 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.5 mmt -68.09 -23.98 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.716 -0.675 . . . . 25.0 110.646 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -106.59 160.74 15.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.43 112.34 20.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.908 -1.515 . . . . 25.0 106.908 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -130.02 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -159.59 170.76 20.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.857 -1.535 . . . . 25.0 106.857 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -65.49 102.43 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.685 -2.339 . . . . 25.0 104.685 171.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.57 -45.73 29.24 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-O 122.055 0.931 . . . . 25.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -143.09 122.03 12.76 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 113.821 -1.536 . . . . 25.0 108.719 -171.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.32 128.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.388 -1.338 . . . . 50.0 107.388 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -85.28 -44.74 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -143.28 139.61 30.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.107 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.24 114.98 13.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 105.631 -1.989 . . . . 25.0 105.631 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.45 162.15 41.59 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 121.842 0.829 . . . . 25.0 111.052 -174.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 149.18 34.93 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.572 -1.195 . . . . 25.0 113.046 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.5 140.65 32.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.77 138.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.12 0.486 . . . . 25.0 112.01 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.95 -155.44 26.23 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 121.011 -0.614 . . . . 25.0 111.569 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 8.32 4.22 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.166 0.984 . . . . 25.0 109.732 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.64 135.82 5.35 Favored Glycine 0 N--CA 1.442 -0.911 1 N-CA-C 99.843 -5.303 . . . . 25.0 99.843 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.63 138.76 53.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 105.169 -2.16 . . . . 50.0 105.169 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.17 117.67 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -91.72 111.28 22.73 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.481 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 88.2 m-85 -98.45 116.39 30.57 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -124.25 116.76 23.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -114.48 137.36 51.95 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-O 123.914 1.816 . . . . 25.0 110.042 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.11 146.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 109.937 -3.302 . . . . 50.0 118.548 -166.425 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -107.69 127.55 53.77 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 105.681 -1.97 . . . . 25.0 105.681 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.17 158.87 15.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.24 1.019 . . . . 25.0 113.413 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.03 171.74 44.35 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 105.345 -3.102 . . . . 25.0 105.345 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -127.89 146.74 50.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 p -112.26 145.61 39.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.2 p -77.09 -19.44 57.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.822 1.415 . . . . 25.0 114.822 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -122.51 169.28 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 115.169 1.544 . . . . 25.0 115.169 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.521 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 3.2 p -104.93 171.41 7.33 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.083 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -64.42 -15.0 59.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 115.371 1.619 . . . . 25.0 115.371 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -15.09 14.18 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 118.405 2.743 . . . . 25.0 118.405 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG3' ' H ' ' A' ' 74' ' ' THR . 19.5 mm-40 -53.1 150.7 10.24 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 112.226 -2.261 . . . . 25.0 112.353 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.6 0.64 7.87 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 121.624 1.549 . . . . 25.0 116.12 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.13 47.7 2.38 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.38 -13.94 53.74 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.616 1.709 . . . . 25.0 115.616 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.35 -41.86 13.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.251 1.024 . . . . 25.0 109.235 176.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.42 -37.94 24.76 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 115.558 1.688 . . . . 25.0 115.558 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.8 m -63.15 -55.64 35.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 C-N-CA 119.438 -0.905 . . . . 25.0 111.046 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 60.0 Cg_endo -66.41 -26.55 47.84 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 113.899 -3.601 . . . . 25.0 113.685 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.3 -40.37 90.23 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 118.011 0.369 . . . . 25.0 110.935 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -84.54 -27.86 27.05 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 81.7 m-20 -68.1 -46.14 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.072 -0.392 . . . . 25.0 110.752 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.81 -50.9 84.49 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.61 -18.82 42.69 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 114.592 -3.138 . . . . 25.0 114.402 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.52 -35.43 53.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.198 0.523 . . . . 25.0 110.691 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 87.8 2.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.767 0.794 . . . . 25.0 111.429 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -124.84 7.19 8.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.627 -0.715 . . . . 25.0 112.267 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.94 121.15 25.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.04 109.79 16.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.13 118.03 19.92 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -116.69 139.46 50.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.5 m -110.61 151.56 27.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.681 -1.6 . . . . 25.0 110.869 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.1 m -129.9 113.04 14.14 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -106.72 135.48 48.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -128.51 109.97 11.86 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 mt -103.53 117.39 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -90.19 121.04 31.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.1 135.64 41.22 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.19 103.33 34.01 Favored Pre-proline 0 N--CA 1.436 -1.16 1 N-CA-C 95.859 -5.608 . . . . 50.0 95.859 -172.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.47 -21.4 15.04 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 106.871 -8.286 . . . . 25.0 113.62 -172.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -15.6 57.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -123.45 -2.64 8.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.544 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.58 16.97 76.11 Favored Glycine 0 N--CA 1.461 0.343 0 CA-C-O 122.007 0.782 . . . . 25.0 111.937 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -111.21 167.49 10.24 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 123.676 0.79 . . . . 25.0 109.184 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' MET . . . . . 0.466 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.35 157.53 43.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 169.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 m -143.7 138.19 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.071 0.548 . . . . 25.0 110.291 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 115' ' ' SER . 25.9 tp -65.44 114.03 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -86.88 -28.85 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.194 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -153.7 141.18 19.78 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.63 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.462 ' HB3' HD21 ' A' ' 112' ' ' LEU . 20.0 p -140.11 120.85 14.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.842 -2.281 . . . . 25.0 104.842 170.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -137.08 149.52 47.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 104.76 -2.311 . . . . 25.0 104.76 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 5.3 m -153.14 169.47 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.473 0.483 . . . . 25.0 111.534 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -128.01 148.68 50.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.09 151.5 25.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.86 -1.067 . . . . 25.0 110.078 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.486 1.333 0 N-CA-C 110.501 -0.185 . . . . 25.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m -75.17 158.77 83.72 Favored Pre-proline 0 C--O 1.24 0.579 0 N-CA-C 108.266 -1.013 . . . . 25.0 108.266 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -72.98 172.7 14.93 Favored 'Trans proline' 0 C--N 1.348 0.523 0 N-CA-C 109.232 -1.103 . . . . 25.0 109.232 172.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.25 -161.66 26.19 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.82 -1.181 . . . . 25.0 114.488 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.22 163.85 48.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 123.775 0.83 . . . . 25.0 109.729 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.91 138.31 52.34 Favored 'Trans proline' 0 CA--C 1.54 0.824 1 C-N-CA 112.151 -4.766 . . . . 25.0 108.896 170.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.0 152.16 67.95 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 117.159 -1.427 . . . . 25.0 112.431 -177.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -66.33 121.3 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt -131.07 147.32 52.61 Favored 'General case' 0 CA--C 1.479 -1.788 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 175.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.1 t -136.75 -71.37 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 113.277 -1.783 . . . . 50.0 109.991 -169.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.81 149.93 5.64 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 109.071 -1.612 . . . . 25.0 109.071 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.68 -168.47 35.76 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.745 -0.942 . . . . 25.0 110.745 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -77.11 139.69 19.28 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 115.44 -2.573 . . . . 25.0 111.884 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.2 ptm -148.98 147.52 28.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.526 -0.546 . . . . 25.0 109.526 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 143.25 31.42 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.232 -2.136 . . . . 25.0 105.232 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 151.4 40.5 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 m -74.04 160.0 31.89 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.911 -0.586 . . . . 25.0 110.531 -174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.85 -16.1 20.5 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.708 0 N-CA-C 109.048 -0.723 . . . . 50.0 109.048 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -73.02 -28.7 62.5 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.431 0.692 . . . . 25.0 110.902 175.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.316 4.8 mp0 -54.43 123.83 14.19 Favored 'General case' 0 CA--C 1.438 -3.327 1 N-CA-C 121.849 4.018 . . . . 25.0 121.849 169.429 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.8 pm0 -64.63 -27.84 69.21 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 112.315 -2.22 . . . . 25.0 110.96 176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.07 -27.98 73.63 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 110.573 -1.011 . . . . 25.0 110.573 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.45 -50.97 14.06 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 N-CA-C 109.241 -0.652 . . . . 50.0 109.241 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -54.2 -37.78 64.91 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.777 0.831 . . . . 25.0 112.654 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -29.19 69.38 Favored 'General case' 0 C--O 1.207 -1.177 0 C-N-CA 119.744 -0.783 . . . . 25.0 112.751 176.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -32.59 22.07 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.002 -1.481 . . . . 25.0 107.002 -176.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.0 mt -63.26 -55.66 23.01 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.68 -36.89 83.6 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 109.605 -0.517 . . . . 25.0 109.605 -175.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.72 -45.87 90.72 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 108.984 -0.747 . . . . 25.0 108.984 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.86 -47.53 77.15 Favored 'General case' 0 C--O 1.207 -1.145 0 N-CA-C 113.633 0.975 . . . . 25.0 113.633 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 31' ' ' VAL 0.276 1.1 t -72.54 -40.1 62.58 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.171 0 N-CA-C 105.944 -1.873 . . . . 50.0 105.944 -174.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.74 -37.25 94.52 Favored Glycine 0 N--CA 1.436 -1.352 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.6 tt0 -85.3 -28.24 25.41 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.59 1.186 . . . . 25.0 112.016 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -86.86 -63.04 1.37 Allowed 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -84.11 -53.58 5.43 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 112.461 -2.154 . . . . 25.0 111.697 -171.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.63 -30.28 67.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.369 -178.631 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.71 -32.11 65.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.137 -1.06 . . . . 25.0 108.137 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -77.38 159.52 29.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.3 139.53 58.06 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -76.88 101.29 5.86 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.965 -1.124 . . . . 25.0 107.965 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.8 mmm -96.6 -45.91 6.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.527 -0.916 . . . . 25.0 108.527 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -142.06 136.8 30.54 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 100.599 -3.852 . . . . 25.0 100.599 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -62.54 126.46 27.4 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 -176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.1 m -142.22 143.58 32.97 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -146.47 159.72 43.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.832 -1.174 . . . . 25.0 107.832 -176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.559 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.34 103.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 101.739 -3.43 . . . . 25.0 101.739 168.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.95 -49.85 41.03 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-O 122.061 0.934 . . . . 25.0 109.02 -175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -148.66 127.34 12.49 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 113.514 -1.675 . . . . 25.0 109.384 -171.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.66 130.06 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.963 -1.125 . . . . 50.0 107.963 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.75 -40.3 11.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.178 -0.919 . . . . 50.0 109.161 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -141.67 142.85 33.36 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.106 -0.701 . . . . 25.0 109.106 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -144.56 104.87 4.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -141.75 168.56 19.46 Favored 'General case' 0 CA--C 1.488 -1.407 0 CA-C-O 121.579 0.704 . . . . 25.0 110.88 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 152.95 35.53 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.831 -1.077 . . . . 25.0 111.071 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' A' ' 61' ' ' ASN . 33.5 tt0 -98.95 130.3 45.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.17 -1.789 . . . . 25.0 106.17 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.94 127.74 67.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.945 -1.132 . . . . 25.0 107.945 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.8 -158.63 31.56 Favored Glycine 0 C--O 1.228 -0.252 0 N-CA-C 109.348 -1.501 . . . . 25.0 109.348 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.17 -22.65 67.02 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 117.215 0.508 . . . . 25.0 110.945 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.48 137.79 10.52 Favored Glycine 0 C--O 1.239 0.461 0 N-CA-C 104.45 -3.46 . . . . 25.0 104.45 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -117.83 113.86 43.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 CA-C-N 118.134 0.967 . . . . 50.0 108.486 -177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 55' ' ' GLN . 4.5 m120 -112.2 118.1 34.38 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -91.72 133.29 35.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 91.6 m-85 -123.18 115.01 21.05 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -122.54 129.96 52.52 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.293 -1.003 . . . . 25.0 108.293 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -119.79 138.77 53.15 Favored 'General case' 0 CA--C 1.478 -1.825 0 CA-C-O 123.683 1.706 . . . . 25.0 107.878 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.599 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 140.93 22.69 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.474 0 CA-C-N 109.851 -3.341 . . . . 50.0 119.525 -167.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -93.41 123.08 36.46 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 105.347 -2.094 . . . . 25.0 105.347 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.3 mt -99.44 159.63 14.88 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.15 161.47 35.3 Favored Glycine 0 N--CA 1.439 -1.14 0 N-CA-C 110.308 -1.117 . . . . 25.0 110.308 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -79.43 126.24 30.58 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 100.912 -3.736 . . . . 25.0 100.912 174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 35.7 p -88.62 142.97 27.25 Favored 'General case' 0 C--N 1.315 -0.911 0 C-N-CA 119.636 -0.826 . . . . 25.0 111.123 -174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 p -72.14 -17.12 61.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.429 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.1 m -125.27 172.35 9.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.548 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.7 p -111.93 175.0 5.61 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 122.02 0.914 . . . . 25.0 111.067 -178.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 115.641 1.719 . . . . 25.0 115.641 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.274 0.8 OUTLIER -106.77 -14.18 15.06 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 117.037 2.236 . . . . 25.0 117.037 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.548 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.0 mm100 -69.3 153.48 95.86 Favored Pre-proline 0 C--N 1.295 -1.773 0 CA-C-N 111.884 -2.417 . . . . 25.0 111.758 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.48 177.98 8.13 Favored 'Trans proline' 0 CA--C 1.536 0.601 0 C-N-CA 121.779 1.652 . . . . 25.0 113.032 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 60.96 40.29 15.57 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 116.653 2.094 . . . . 25.0 116.653 173.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.0 mp -58.18 -10.4 1.93 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 117.104 2.261 . . . . 25.0 117.104 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -83.33 -41.82 17.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 122.408 1.099 . . . . 25.0 110.139 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -83.42 -37.42 23.25 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 114.206 1.188 . . . . 25.0 114.206 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.62 -53.88 61.03 Favored Pre-proline 0 C--N 1.321 -0.669 0 C-N-CA 119.865 -0.734 . . . . 25.0 110.995 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.35 -24.4 37.2 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 115.642 -2.438 . . . . 25.0 114.021 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -59.25 -39.57 83.25 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -81.69 -19.63 41.19 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.836 0.68 . . . . 25.0 112.836 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.63 -37.39 70.89 Favored 'General case' 0 C--O 1.22 -0.477 0 O-C-N 121.797 -0.564 . . . . 25.0 111.1 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.33 -56.59 20.93 Favored Pre-proline 0 N--CA 1.482 1.166 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -69.22 -14.86 38.53 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 115.117 -2.789 . . . . 25.0 114.02 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -80.16 -16.55 54.64 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 122.024 -0.422 . . . . 25.0 111.199 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.63 90.69 0.4 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.036 0.446 . . . . 25.0 111.32 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -69.52 -32.3 71.05 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 108.475 -0.935 . . . . 25.0 108.475 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -115.59 123.83 49.43 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 100.885 -3.746 . . . . 25.0 100.885 170.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -86.79 109.8 19.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 106.08 -1.822 . . . . 25.0 106.08 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.06 128.57 34.69 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 107.78 -1.193 . . . . 25.0 107.78 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -122.84 141.31 52.0 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 122.142 0.972 . . . . 25.0 109.466 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.0 m -129.34 157.09 42.87 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.08 -1.418 . . . . 25.0 110.309 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.9 m -129.67 125.74 36.7 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 107.688 -1.226 . . . . 25.0 107.688 175.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -119.26 132.8 55.96 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -126.64 121.58 32.55 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.373 -0.973 . . . . 25.0 108.373 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.7 mt -113.46 120.65 63.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 106.275 -1.75 . . . . 25.0 106.275 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -91.55 120.92 32.78 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.77 134.78 42.17 Favored 'General case' 0 N--CA 1.432 -1.363 0 N-CA-C 104.213 -2.514 . . . . 25.0 104.213 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.2 t -101.63 103.08 25.61 Favored Pre-proline 0 N--CA 1.432 -1.359 1 N-CA-C 95.926 -5.583 . . . . 50.0 95.926 -172.347 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -75.0 -21.6 15.68 Favored 'Trans proline' 0 N--CA 1.451 -0.98 1 C-N-CA 106.841 -8.306 . . . . 25.0 114.65 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -61.13 -20.74 63.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.058 -0.974 . . . . 25.0 113.506 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -118.71 -3.4 10.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.258 -0.428 . . . . 25.0 111.116 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.17 14.78 74.13 Favored Glycine 0 N--CA 1.46 0.273 0 CA-C-O 121.664 0.591 . . . . 25.0 112.01 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.4 p -103.91 167.32 9.85 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 123.66 0.784 . . . . 25.0 109.091 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.6 ptt? -148.29 157.66 43.62 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 169.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.5 m -142.61 140.01 31.52 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 123.145 0.578 . . . . 25.0 110.027 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.2 tp -65.5 113.48 4.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 121.64 0.733 . . . . 25.0 109.412 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.0 t -83.45 -34.18 25.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 25.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -151.42 141.52 22.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 25.0 111.795 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 116.89 12.29 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 104.588 -2.375 . . . . 25.0 104.588 171.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.5 t -133.3 147.15 51.87 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.688 -1.967 . . . . 25.0 105.688 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.61 170.24 19.63 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 115.002 1.482 . . . . 25.0 115.002 -173.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -124.77 159.73 30.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.509 -1.223 . . . . 25.0 109.061 176.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -86.32 151.39 23.62 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.71 0.404 . . . . 25.0 111.497 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 117.113 -1.423 . . . . 25.0 111.092 -178.297 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 110.429 -0.212 . . . . 25.0 110.429 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -79.73 146.72 65.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.1 172.75 14.12 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 117.935 -0.91 . . . . 25.0 112.68 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.97 151.92 37.09 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.795 -0.922 . . . . 25.0 110.795 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -156.17 152.52 23.58 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.34 -0.615 . . . . 25.0 109.34 -176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -75.39 166.22 29.17 Favored 'Trans proline' 0 C--O 1.242 0.703 0 O-C-N 122.379 0.673 . . . . 25.0 110.931 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -71.65 158.54 53.25 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 117.1 -1.466 . . . . 25.0 111.488 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -138.41 110.29 7.2 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 mt -86.11 148.72 25.56 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.624 0.725 . . . . 25.0 110.771 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -139.08 31.51 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 106.155 -1.794 . . . . 50.0 106.155 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.03 -132.33 11.22 Favored Glycine 0 C--O 1.228 -0.27 0 N-CA-C 106.707 -2.557 . . . . 25.0 106.707 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.18 -58.18 15.85 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.322 -0.711 . . . . 25.0 111.322 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.74 148.4 58.64 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 114.928 -2.915 . . . . 25.0 111.081 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.6 ptp -148.75 149.08 30.77 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 111.787 0.291 . . . . 25.0 111.787 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.43 128.62 38.34 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 101.087 -3.672 . . . . 25.0 101.087 171.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.43 160.16 20.97 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.69 156.21 32.73 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.473 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.0 m -69.03 -19.7 24.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.997 -0.742 . . . . 50.0 108.997 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -74.22 -24.04 59.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.398 -1.273 . . . . 25.0 111.425 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.28 0.8 OUTLIER -53.99 136.11 41.79 Favored 'General case' 0 CA--C 1.44 -3.271 0 N-CA-C 120.919 3.674 . . . . 25.0 120.919 174.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.26 -32.6 74.05 Favored 'General case' 0 N--CA 1.411 -2.404 0 CA-C-N 113.367 -1.742 . . . . 25.0 112.044 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.09 -23.99 74.59 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.328 -0.851 . . . . 25.0 111.176 176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.3 t -88.02 -50.92 13.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 117.601 0.7 . . . . 50.0 111.754 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -50.12 -47.02 54.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.995 0.518 . . . . 25.0 112.223 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -28.49 69.54 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 113.734 1.013 . . . . 25.0 113.734 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.55 -29.6 24.05 Favored 'General case' 0 C--O 1.212 -0.916 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.21 -54.85 23.21 Favored 'General case' 0 CA--C 1.494 -1.174 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -67.21 -35.85 80.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 O-C-N 123.615 0.572 . . . . 25.0 109.498 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -61.4 -46.41 90.28 Favored 'General case' 0 C--O 1.215 -0.715 0 N-CA-C 108.221 -1.029 . . . . 25.0 108.221 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.68 82.79 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.265 1.1 t -74.71 -38.86 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.28 0 N-CA-C 105.653 -1.98 . . . . 50.0 105.653 -173.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.482 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.51 -36.78 93.66 Favored Glycine 0 C--O 1.207 -1.584 0 N-CA-C 108.352 -1.899 . . . . 25.0 108.352 -177.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.2 tt0 -85.47 -27.99 25.32 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 122.416 1.103 . . . . 25.0 111.541 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -86.81 -63.56 1.29 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 116.298 1.962 . . . . 25.0 116.298 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -83.5 -52.56 6.38 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-N 112.404 -2.18 . . . . 25.0 112.266 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.482 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -71.04 -30.18 66.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.524 -0.762 . . . . 25.0 110.248 -178.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.95 -32.08 66.95 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.208 -1.405 . . . . 25.0 107.208 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.5 m -77.74 158.04 29.79 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.445 -0.798 . . . . 25.0 110.446 174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -93.7 55.45 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.383 0.611 . . . . 25.0 111.214 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -66.2 130.84 44.59 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.636 0.731 . . . . 25.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.6 mtm -70.45 -25.48 63.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.029 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.41 162.43 13.7 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -88.53 112.4 22.96 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.039 -1.837 . . . . 25.0 106.039 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -121.1 143.54 49.03 Favored 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 106.751 -1.574 . . . . 25.0 106.751 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -151.35 168.98 23.12 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.54 103.43 2.49 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 102.289 -3.226 . . . . 25.0 102.289 171.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.63 -45.08 84.44 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-O 121.397 0.618 . . . . 25.0 110.754 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -161.68 136.67 7.3 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.14 -1.391 . . . . 25.0 108.212 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.678 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.95 136.87 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.522 0.677 . . . . 50.0 110.185 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.3 t -91.53 -44.09 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -141.02 140.18 34.26 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.558 -0.905 . . . . 25.0 108.558 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.11 118.3 12.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.55 166.25 32.61 Favored 'General case' 0 CA--C 1.487 -1.464 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.77 28.12 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 115.625 -0.716 . . . . 25.0 109.711 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -104.1 135.82 44.88 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 106.031 -1.84 . . . . 25.0 106.031 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.0 mt -126.69 134.78 65.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.04 -145.86 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 105.423 -3.071 . . . . 25.0 105.423 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.53 -24.8 66.87 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.178 0.989 . . . . 25.0 110.056 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.79 162.2 21.69 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 105.296 -3.122 . . . . 25.0 105.296 175.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -119.18 130.81 73.41 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 105.406 -2.072 . . . . 50.0 105.406 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -132.96 117.03 17.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.884 0.373 . . . . 25.0 110.539 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.88 136.78 32.89 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.454 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 90.3 m-85 -123.4 113.34 18.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.004 -1.48 . . . . 25.0 107.004 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -121.07 119.77 33.42 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -114.24 135.22 54.3 Favored 'General case' 0 CA--C 1.486 -1.497 0 CA-C-O 123.193 1.473 . . . . 25.0 107.194 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.678 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -142.59 144.16 24.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 121.267 3.803 . . . . 50.0 121.267 -163.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -93.71 131.33 39.14 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.766 -1.561 . . . . 25.0 108.432 176.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.38 159.4 15.02 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.73 160.45 25.33 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 106.146 -2.782 . . . . 25.0 106.146 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.2 mtm-85 -102.89 148.73 25.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 39.5 p -88.85 143.53 26.83 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.1 p -70.35 -19.52 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.852 0.358 . . . . 25.0 111.913 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.9 m -121.58 171.73 8.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.25 0.548 . . . . 25.0 110.614 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.432 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 4.4 p -104.97 174.06 6.04 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 122.011 0.91 . . . . 25.0 111.433 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -61.85 -21.95 65.1 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 176.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.257 0.7 OUTLIER -105.78 -14.77 15.14 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 118.414 2.746 . . . . 25.0 118.414 179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' HG3' ' H ' ' A' ' 74' ' ' THR . 32.2 mm-40 -55.51 153.39 14.88 Favored Pre-proline 0 C--N 1.298 -1.636 0 CA-C-N 112.591 -2.095 . . . . 25.0 113.387 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -62.98 -18.46 65.27 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 N-CA-C 119.323 2.778 . . . . 25.0 119.323 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -131.54 64.47 1.59 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.593 1.701 . . . . 25.0 115.593 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.78 -10.48 20.14 Favored 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.82 -42.27 13.4 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 122.521 1.153 . . . . 25.0 110.335 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -86.43 -34.32 20.17 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.741 1.386 . . . . 25.0 114.741 -171.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.6 m -63.05 -55.41 37.58 Favored Pre-proline 0 C--N 1.321 -0.632 0 C-N-CA 119.519 -0.873 . . . . 25.0 110.702 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -67.25 -24.77 43.51 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 114.908 -2.928 . . . . 25.0 114.373 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -59.2 -43.14 92.23 Favored 'General case' 0 C--O 1.223 -0.333 0 N-CA-C 109.408 -0.59 . . . . 25.0 109.408 174.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -82.05 -26.42 33.75 Favored 'General case' 0 C--O 1.22 -0.458 0 N-CA-C 113.362 0.875 . . . . 25.0 113.362 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.36 -52.34 66.04 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.906 -0.496 . . . . 25.0 111.308 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -53.48 -56.49 24.14 Favored Pre-proline 0 CA--C 1.508 -0.646 0 C-N-CA 119.159 -1.016 . . . . 25.0 113.722 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.18 -26.59 36.06 Favored 'Trans proline' 0 N--CA 1.452 -0.933 1 C-N-CA 111.623 -5.118 . . . . 25.0 115.967 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -73.87 -25.64 60.14 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.959 -0.463 . . . . 25.0 112.187 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -73.66 83.41 1.58 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.235 -1.024 . . . . 25.0 108.235 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -34.84 77.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.77 133.32 34.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -124.53 144.55 50.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 N-CA-C 105.736 -1.95 . . . . 25.0 105.736 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.73 152.63 45.06 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.116 -2.179 . . . . 25.0 105.116 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -124.24 139.78 53.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.405 1.097 . . . . 25.0 113.733 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.5 m -119.73 160.12 23.17 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.249 -1.341 . . . . 25.0 111.04 173.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 t -129.88 117.42 20.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.839 -1.541 . . . . 25.0 106.839 175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -113.35 134.04 54.83 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 38.8 tt0 -129.17 117.55 20.97 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.11 119.07 57.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 107.424 -1.324 . . . . 25.0 107.424 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -91.54 125.82 36.41 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.798 -1.926 . . . . 25.0 105.798 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.57 133.85 46.88 Favored 'General case' 0 CA--C 1.491 -1.324 0 N-CA-C 105.224 -2.139 . . . . 25.0 105.224 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.58 103.01 24.91 Favored Pre-proline 0 N--CA 1.433 -1.278 1 N-CA-C 96.473 -5.38 . . . . 50.0 96.473 -171.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.13 -23.56 13.46 Favored 'Trans proline' 0 N--CA 1.452 -0.915 1 C-N-CA 106.537 -8.508 . . . . 25.0 114.959 -167.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 63.0 t-105 -59.31 -30.25 68.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.127 -0.942 . . . . 25.0 113.336 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -106.73 -4.85 18.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.57 -177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.1 17.89 77.52 Favored Glycine 0 C--N 1.33 0.247 0 CA-C-O 121.931 0.74 . . . . 25.0 111.609 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -108.99 167.43 10.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 109.264 -0.643 . . . . 25.0 109.264 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.9 ptp -148.28 157.54 43.55 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 169.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.1 m -145.17 141.98 29.2 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.871 0.468 . . . . 25.0 110.385 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.06 110.72 3.06 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.883 0.849 . . . . 25.0 109.395 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 42.8 t -84.81 -26.58 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.098 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 3.5 ttmt -150.06 135.62 18.28 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 109.882 -0.414 . . . . 25.0 109.882 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.69 108.22 6.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 12.1 t -127.46 147.03 50.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 105.599 -2.0 . . . . 25.0 105.599 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 2.0 m -148.35 173.4 13.09 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.516 1.302 . . . . 25.0 114.516 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -132.34 152.29 51.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 104.03 -2.582 . . . . 25.0 104.03 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.7 151.55 23.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.13 0.49 . . . . 25.0 111.87 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 116.59 -1.672 . . . . 25.0 107.368 -179.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.633 -0.699 . . . . 25.0 109.692 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p 38.6 69.51 1.54 Allowed Pre-proline 0 N--CA 1.481 1.115 0 N-CA-C 115.786 1.772 . . . . 25.0 115.786 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.59 -11.61 26.34 Favored 'Trans proline' 0 C--N 1.349 0.566 0 N-CA-C 116.463 1.678 . . . . 25.0 116.463 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.66 -166.26 34.19 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.014 -1.088 . . . . 25.0 111.57 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 ptmm? -141.51 60.52 11.88 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 113.483 0.92 . . . . 25.0 113.483 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.2 161.6 35.02 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 118.086 -0.809 . . . . 25.0 112.941 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -74.51 166.65 28.93 Favored 'Trans proline' 0 C--N 1.35 0.619 0 N-CA-C 109.91 -0.842 . . . . 25.0 109.91 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -149.52 112.08 4.75 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.952 -0.467 . . . . 25.0 111.95 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.556 ' HG ' ' H ' ' A' ' 15' ' ' ASP . 5.1 mp -129.91 65.4 1.5 Allowed 'General case' 0 CA--C 1.453 -2.781 0 N-CA-C 107.473 -1.306 . . . . 25.0 107.473 172.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.84 122.31 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.417 -2.09 0 CA-C-N 113.263 -1.789 . . . . 50.0 110.112 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.12 -146.4 29.25 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 110.15 -1.18 . . . . 25.0 110.15 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.93 -57.59 18.21 Favored Glycine 0 CA--C 1.523 0.564 0 CA-C-O 118.939 -0.923 . . . . 25.0 114.318 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 90.1 Cg_endo -79.2 140.07 15.33 Favored 'Trans proline' 0 C--O 1.24 0.599 0 C-N-CA 115.534 -2.511 . . . . 25.0 115.372 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' LEU . 27.9 ptm -145.75 146.91 31.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.721 -1.127 . . . . 25.0 108.859 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.556 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 66.6 m-20 -85.1 145.74 27.5 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.02 156.76 35.89 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 173.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.08 158.21 33.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' HA ' HG11 ' A' ' 23' ' ' VAL . 12.4 m -69.58 -16.24 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -70.85 -29.24 65.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.805 -1.089 . . . . 25.0 111.19 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.281 0.8 OUTLIER -56.06 141.86 38.56 Favored 'General case' 0 CA--C 1.457 -2.598 1 N-CA-C 122.08 4.104 . . . . 25.0 122.08 179.462 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.25 -41.87 80.44 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 112.503 -2.135 . . . . 25.0 111.946 -176.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.08 -25.69 74.34 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.182 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG11 ' HA ' ' A' ' 18' ' ' VAL . 73.4 t -86.35 -48.88 15.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 CA-C-N 117.813 0.807 . . . . 50.0 110.658 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -53.0 -40.91 64.14 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.133 0.879 . . . . 25.0 112.728 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -27.53 65.26 Favored 'General case' 0 C--O 1.206 -1.218 0 N-CA-C 113.078 0.77 . . . . 25.0 113.078 177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.22 -28.5 25.37 Favored 'General case' 0 C--O 1.213 -0.867 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -57.25 -62.66 1.61 Allowed 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 108.525 -0.917 . . . . 25.0 108.525 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -70.36 -32.89 70.77 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 123.517 0.511 . . . . 25.0 111.226 -174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.58 -49.21 78.44 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -46.35 82.98 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 114.595 1.332 . . . . 25.0 114.595 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.275 1.1 t -74.72 -36.39 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.19 0 N-CA-C 106.934 -1.506 . . . . 50.0 106.934 -175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.55 92.2 Favored Glycine 0 C--O 1.207 -1.553 0 N-CA-C 107.418 -2.273 . . . . 25.0 107.418 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 80.7 tt0 -85.82 -28.19 24.63 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 122.177 0.989 . . . . 25.0 111.766 -176.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -86.88 -62.97 1.39 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 116.448 2.018 . . . . 25.0 116.448 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -84.23 -52.14 6.47 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 112.254 -2.248 . . . . 25.0 112.143 -172.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.84 -31.56 68.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.96 -178.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.54 -31.81 67.45 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -75.24 152.54 38.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.522 -0.763 . . . . 25.0 109.719 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -85.67 55.54 3.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.642 0.734 . . . . 25.0 110.201 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -68.59 127.61 33.66 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.611 -0.722 . . . . 25.0 111.003 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mmt -67.25 -21.67 65.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -136.33 161.89 34.54 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.784 -0.821 . . . . 25.0 108.784 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -65.72 133.88 51.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.757 0.313 . . . . 25.0 111.15 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.3 m -143.13 149.11 37.66 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 104.466 -2.42 . . . . 25.0 104.466 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.6 ttt-85 -154.94 167.31 30.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.038 -0.356 . . . . 25.0 110.038 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.42 104.76 2.82 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 102.419 -3.178 . . . . 25.0 102.419 167.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.83 -47.96 64.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 121.616 0.722 . . . . 25.0 111.425 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -154.94 138.04 15.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.45 -1.25 . . . . 25.0 107.64 -171.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.67 129.62 38.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.429 0.633 . . . . 50.0 109.4 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.3 t -86.0 -43.15 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -145.19 140.82 28.19 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.742 -0.466 . . . . 25.0 109.742 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.41 114.2 12.66 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 104.916 -2.254 . . . . 25.0 104.916 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.64 168.33 25.97 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 121.45 0.643 . . . . 25.0 109.926 -176.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.79 164.45 35.27 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.026 -0.988 . . . . 25.0 109.479 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 30.2 tt0 -134.58 120.74 19.99 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.078 -1.082 . . . . 25.0 108.078 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.79 137.82 29.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.79 -159.53 23.81 Favored Glycine 0 N--CA 1.451 -0.341 0 N-CA-C 107.711 -2.156 . . . . 25.0 107.711 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.87 69.0 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 117.871 0.836 . . . . 25.0 109.155 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.47 148.7 16.98 Favored Glycine 0 N--CA 1.448 -0.543 1 N-CA-C 101.896 -4.482 . . . . 25.0 101.896 172.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.2 t -119.94 131.64 71.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -125.01 124.76 42.66 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 122.014 -0.428 . . . . 25.0 110.627 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.07 134.24 45.62 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 106.533 -1.654 . . . . 25.0 106.533 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 39.7 m-85 -123.41 114.79 20.61 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.548 -1.649 . . . . 25.0 106.548 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -123.0 117.01 24.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.56 -0.904 . . . . 25.0 108.56 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.78 136.21 53.1 Favored 'General case' 0 CA--C 1.493 -1.244 0 CA-C-O 122.922 1.344 . . . . 25.0 108.812 -177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -147.74 143.24 19.66 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.183 1 N-CA-C 121.931 4.048 . . . . 50.0 121.931 -163.06 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -90.46 134.38 34.39 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.182 -1.372 . . . . 25.0 108.973 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.516 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.8 mp -110.85 138.09 47.68 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 115.581 1.697 . . . . 25.0 115.581 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.57 153.51 24.82 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 107.155 -2.378 . . . . 25.0 107.155 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.4 mtt-85 -79.58 132.93 36.41 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 102.199 -3.259 . . . . 25.0 102.199 173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -88.83 142.9 27.27 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.428 -0.909 . . . . 25.0 110.263 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.2 p -74.03 -15.85 61.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.398 0.618 . . . . 25.0 109.708 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.91 163.89 12.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.261 1.029 . . . . 25.0 111.179 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.404 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 18.9 p -109.11 173.34 6.36 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 105.933 -1.877 . . . . 25.0 105.933 175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -60.86 -22.44 64.26 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 115.248 1.573 . . . . 25.0 115.248 175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.34 -15.02 15.56 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 119.464 3.135 . . . . 25.0 119.464 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 74' ' ' THR . 16.3 mm-40 -55.35 147.13 38.82 Favored Pre-proline 0 C--N 1.296 -1.754 0 CA-C-N 112.413 -2.176 . . . . 25.0 114.374 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.08 -16.49 14.07 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.239 1.292 . . . . 25.0 115.268 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.74 33.84 1.6 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.34 -11.19 13.99 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 116.66 2.096 . . . . 25.0 116.66 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.99 -42.12 14.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.737 1.256 . . . . 25.0 109.319 172.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -82.18 -36.17 27.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.696 1.369 . . . . 25.0 114.696 -173.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 98.2 m -60.66 -57.44 26.46 Favored Pre-proline 0 C--O 1.215 -0.728 0 C-N-CA 120.337 -0.545 . . . . 25.0 111.307 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.11 -25.68 43.51 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 114.351 -3.299 . . . . 25.0 114.008 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -61.86 -35.02 77.07 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 110.203 -0.295 . . . . 25.0 110.203 174.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -79.83 -37.16 35.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.229 0.538 . . . . 25.0 111.989 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.77 -38.74 80.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 113.714 1.005 . . . . 25.0 113.714 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -58.1 -55.26 47.16 Favored Pre-proline 0 N--CA 1.472 0.672 0 N-CA-C 113.075 0.769 . . . . 25.0 113.075 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.65 -13.06 36.32 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 113.425 -3.917 . . . . 25.0 113.737 177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -79.05 -6.91 57.53 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.802 -0.561 . . . . 25.0 110.65 175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.0 mt -72.88 68.69 0.9 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 122.179 0.99 . . . . 25.0 111.316 174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -85.72 14.71 5.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.693 0.759 . . . . 25.0 110.032 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -138.1 150.15 46.61 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 101.5 -3.519 . . . . 25.0 101.5 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 134.07 35.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 118.839 -0.601 . . . . 25.0 109.471 -167.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -155.55 113.33 3.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 118.657 -1.217 . . . . 25.0 112.618 160.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -124.57 139.6 53.72 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 106.979 -1.489 . . . . 25.0 106.979 165.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.516 ' SG ' HD13 ' A' ' 68' ' ' LEU . 75.3 m -120.09 158.36 27.03 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 123.725 0.81 . . . . 25.0 110.286 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.4 m -129.83 112.56 13.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.43 -0.805 . . . . 25.0 108.939 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -104.93 126.91 52.5 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -127.04 110.99 13.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.8 mt -102.37 129.86 53.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 -174.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -98.76 125.01 43.98 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.53 134.93 46.05 Favored 'General case' 0 CA--C 1.492 -1.275 0 N-CA-C 104.022 -2.584 . . . . 25.0 104.022 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.66 103.37 27.66 Favored Pre-proline 0 N--CA 1.433 -1.28 1 N-CA-C 95.813 -5.625 . . . . 50.0 95.813 -171.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.08 -25.57 11.61 Favored 'Trans proline' 0 N--CA 1.454 -0.795 1 C-N-CA 106.319 -8.654 . . . . 25.0 114.112 -170.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -60.93 -30.2 70.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.745 -1.116 . . . . 25.0 112.351 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -103.54 -1.67 27.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.675 -0.693 . . . . 25.0 112.322 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.1 30.01 76.82 Favored Glycine 0 N--CA 1.467 0.736 0 CA-C-O 122.527 1.071 . . . . 25.0 112.219 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.05 167.41 19.76 Favored 'General case' 0 CA--C 1.498 -1.056 0 C-N-CA 124.205 1.002 . . . . 25.0 108.743 -174.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.453 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.1 ptp -148.2 157.55 43.56 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 171.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.3 m -144.62 141.62 29.53 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 123.192 0.597 . . . . 25.0 109.409 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.42 115.61 5.86 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -83.93 -34.19 24.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.903 -0.589 . . . . 25.0 109.79 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -151.28 138.33 19.15 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 113.221 0.823 . . . . 25.0 113.221 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.76 128.43 47.72 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 102.917 -2.994 . . . . 25.0 102.917 169.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.8 t -145.92 156.56 43.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 105.947 -1.871 . . . . 25.0 105.947 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 10.3 m -146.68 177.81 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.446 0.466 . . . . 25.0 112.135 -174.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -106.62 150.02 26.63 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -81.9 138.37 35.03 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.099 -1.075 . . . . 25.0 108.099 174.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.219 -0.896 . . . . 25.0 112.827 -177.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 119.024 -0.512 . . . . 25.0 110.068 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -147.8 135.91 11.01 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.341 -0.614 . . . . 25.0 109.341 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -83.4 -169.29 0.68 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.214 1.943 . . . . 25.0 112.635 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.29 -9.26 67.66 Favored Glycine 0 C--O 1.225 -0.425 0 N-CA-C 114.836 0.694 . . . . 25.0 114.836 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -80.59 145.52 58.87 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -69.18 159.03 55.46 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 117.973 -0.884 . . . . 25.0 111.474 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -67.08 115.16 3.49 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 118.026 -0.849 . . . . 25.0 113.585 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -154.95 148.07 24.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 104.527 -2.398 . . . . 25.0 104.527 178.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.96 -19.95 65.01 Favored 'General case' 0 CA--C 1.489 -1.398 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t 69.03 -37.74 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.76 -175.58 14.07 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 107.035 -2.426 . . . . 25.0 107.035 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.81 178.11 42.33 Favored Glycine 0 N--CA 1.452 -0.236 0 N-CA-C 109.276 -1.53 . . . . 25.0 109.276 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -65.17 151.51 85.25 Favored 'Trans proline' 0 C--N 1.343 0.28 0 CA-C-N 119.208 1.504 . . . . 25.0 114.182 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.9 ptp -149.01 147.83 29.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.13 150.27 23.44 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 173.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.4 155.83 36.62 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 104.194 -2.521 . . . . 25.0 104.194 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -74.43 155.2 38.3 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -69.64 -17.56 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 107.771 -1.196 . . . . 50.0 107.771 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -74.24 -24.4 59.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.719 -1.128 . . . . 25.0 111.174 175.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 1.0 OUTLIER -57.86 131.68 51.09 Favored 'General case' 0 CA--C 1.435 -3.462 0 N-CA-C 120.629 3.566 . . . . 25.0 120.629 172.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.98 -33.34 75.19 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 113.681 -1.6 . . . . 25.0 112.209 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.95 -27.62 69.0 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 110.989 -0.845 . . . . 25.0 110.989 176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.9 t -87.23 -51.96 12.2 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 CA-C-O 119.1 -0.476 . . . . 50.0 111.208 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.5 mtp85 -49.35 -47.24 47.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.404 0.681 . . . . 25.0 112.764 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.84 -29.54 70.82 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 113.874 1.064 . . . . 25.0 113.874 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.51 24.29 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.32 -60.06 4.11 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.534 -0.913 . . . . 25.0 108.534 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -69.56 -31.46 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.379 0.424 . . . . 25.0 110.517 -174.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.36 -49.7 75.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.596 -0.891 . . . . 25.0 108.596 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -42.61 74.51 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.711 1.374 . . . . 25.0 114.711 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 31' ' ' VAL 0.274 1.2 t -76.09 -35.71 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.367 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -175.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.86 -34.1 89.03 Favored Glycine 0 C--O 1.211 -1.329 0 N-CA-C 106.982 -2.447 . . . . 25.0 106.982 -177.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -85.31 -31.08 23.23 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.85 0.833 . . . . 25.0 112.274 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -87.67 -62.95 1.38 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -84.32 -51.86 6.66 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-N 111.743 -2.48 . . . . 25.0 111.879 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.829 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.09 70.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 25.0 106.565 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -77.52 157.92 30.15 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.393 -0.822 . . . . 25.0 109.563 174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -93.64 57.34 2.53 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.543 0.687 . . . . 25.0 111.14 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -65.25 132.1 48.21 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.501 0.667 . . . . 25.0 110.15 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 75.9 mtm -67.59 -20.61 65.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.395 -0.821 . . . . 25.0 112.184 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -118.72 161.84 19.43 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -78.17 112.5 15.19 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 105.811 -1.922 . . . . 25.0 105.811 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.7 m -124.18 139.68 53.69 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -155.24 171.08 20.42 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.856 -0.338 . . . . 25.0 110.628 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -67.74 102.22 1.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 171.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -45.15 72.96 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-O 121.423 0.63 . . . . 25.0 112.55 -177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -153.13 131.13 11.79 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.496 -1.229 . . . . 25.0 108.386 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.639 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -86.96 130.74 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -86.33 -43.91 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.723 -1.214 . . . . 50.0 107.723 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mmm-85 -144.97 143.53 30.57 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.747 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -138.47 116.98 12.07 Favored 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 104.906 -2.257 . . . . 25.0 104.906 177.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.54 163.67 39.13 Favored 'General case' 0 CA--C 1.479 -1.782 0 CA-C-O 121.553 0.692 . . . . 25.0 110.306 -174.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 137.3 47.91 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 114.512 -1.222 . . . . 25.0 110.871 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -98.59 133.34 43.08 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.386 -2.45 . . . . 25.0 104.386 174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.0 138.99 52.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.53 -134.8 2.17 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 107.091 -2.404 . . . . 25.0 107.091 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.07 -8.76 51.99 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 117.627 0.713 . . . . 25.0 110.729 177.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.52 176.16 31.63 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 104.293 -3.523 . . . . 25.0 104.293 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.09 137.76 56.73 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 118.763 1.281 . . . . 50.0 107.793 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -133.45 124.99 28.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.691 -0.631 . . . . 25.0 109.754 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -94.22 114.28 26.35 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.434 -1.321 . . . . 25.0 107.434 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 42.6 m-85 -99.76 115.92 30.65 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -116.62 123.95 48.57 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.055 -1.831 . . . . 25.0 106.055 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -118.84 134.15 55.36 Favored 'General case' 0 CA--C 1.484 -1.566 0 CA-C-O 123.322 1.534 . . . . 25.0 107.641 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.75 142.74 23.12 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.308 0 N-CA-C 121.428 3.862 . . . . 50.0 121.428 -163.575 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -94.05 133.2 37.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 113.459 -1.701 . . . . 25.0 108.756 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -92.16 150.84 20.69 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.878 0.847 . . . . 25.0 112.31 177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.5 175.95 45.53 Favored Glycine 0 N--CA 1.44 -1.058 0 N-CA-C 105.853 -2.899 . . . . 25.0 105.853 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -122.81 146.68 47.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.1 p -106.4 142.86 35.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 25.0 110.578 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.9 p -73.96 -23.72 59.53 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.314 -0.403 . . . . 25.0 111.937 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 63.8 m -123.46 174.43 7.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.759 0.79 . . . . 25.0 111.969 -178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.683 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.5 p -136.59 178.76 6.82 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 114.632 -1.167 . . . . 25.0 110.116 -174.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -58.0 -25.24 60.81 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 116.627 2.084 . . . . 25.0 116.627 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.296 0.7 OUTLIER -107.82 -14.59 14.75 Favored 'General case' 0 CA--C 1.5 -0.975 0 N-CA-C 116.137 1.903 . . . . 25.0 116.137 179.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.683 ' HB2' ' H ' ' A' ' 74' ' ' THR . 8.0 mm100 -75.65 153.41 85.39 Favored Pre-proline 0 C--N 1.296 -1.737 0 CA-C-N 111.453 -2.612 . . . . 25.0 108.366 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.15 170.61 19.99 Favored 'Trans proline' 0 CA--C 1.53 0.308 0 C-N-CA 121.42 1.413 . . . . 25.0 113.999 -176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 57.99 49.95 10.96 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.268 1.951 . . . . 25.0 116.268 173.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.99 -10.46 9.85 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.351 1.241 . . . . 25.0 114.351 178.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.89 -42.19 13.4 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.762 1.268 . . . . 25.0 109.118 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -87.23 -35.03 18.75 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -170.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 57.9 m -62.93 -57.41 21.55 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 119.534 -0.866 . . . . 25.0 110.586 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -67.86 -25.31 39.21 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 114.382 -3.278 . . . . 25.0 114.351 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.25 -36.93 78.9 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.259 0.481 . . . . 25.0 109.971 173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -83.71 -32.56 25.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 112.77 0.656 . . . . 25.0 112.77 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -61.91 -46.17 90.53 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.035 0.754 . . . . 25.0 113.035 -175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -57.77 -55.12 48.2 Favored Pre-proline 0 N--CA 1.475 0.807 0 N-CA-C 113.067 0.766 . . . . 25.0 113.067 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -70.73 -14.2 32.84 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 114.366 -3.289 . . . . 25.0 115.146 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -68.83 -26.09 64.99 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 121.584 -0.697 . . . . 25.0 110.839 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.74 92.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 115.071 1.508 . . . . 25.0 115.071 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -35.65 59.5 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 173.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.78 134.98 35.11 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.302 -2.11 . . . . 25.0 105.302 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -126.74 134.5 50.62 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.074 -2.195 . . . . 25.0 105.074 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.85 143.88 29.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 105.826 -1.916 . . . . 25.0 105.826 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -124.19 138.82 54.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.703 1.001 . . . . 25.0 113.703 -176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.6 m -112.45 158.16 20.2 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.789 -1.096 . . . . 25.0 111.273 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.3 m -129.88 127.06 39.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -119.46 131.19 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.735 -1.209 . . . . 25.0 107.735 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -122.68 107.3 11.79 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 109.491 -0.559 . . . . 25.0 109.491 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.9 mt -100.44 118.73 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 107.356 -1.35 . . . . 25.0 107.356 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -90.34 121.62 32.5 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -99.87 135.62 41.02 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.572 -2.381 . . . . 25.0 104.572 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -99.41 103.32 20.07 Favored Pre-proline 0 N--CA 1.435 -1.208 1 N-CA-C 95.835 -5.617 . . . . 50.0 95.835 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.3 -20.26 16.45 Favored 'Trans proline' 0 N--CA 1.452 -0.939 1 C-N-CA 106.823 -8.318 . . . . 25.0 114.336 -168.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -64.18 -17.73 63.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.416 -1.266 . . . . 25.0 114.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -122.31 -2.16 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.613 -0.267 . . . . 25.0 111.024 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.36 15.72 75.11 Favored Glycine 0 C--O 1.227 -0.327 0 CA-C-O 121.734 0.63 . . . . 25.0 111.932 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.0 p -103.34 166.98 10.1 Favored 'General case' 0 CA--C 1.503 -0.852 0 C-N-CA 123.745 0.818 . . . . 25.0 108.876 -176.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 22.2 ptt? -148.1 157.6 43.6 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.959 -0.386 . . . . 25.0 109.959 170.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 77.4 m -143.76 140.04 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.492 0.717 . . . . 25.0 110.356 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 tp -65.48 117.32 7.81 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 121.614 0.721 . . . . 25.0 109.686 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -89.26 -32.07 17.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.436 -0.802 . . . . 25.0 111.287 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -152.58 140.3 19.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.622 0.248 . . . . 25.0 111.541 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.57 124.95 26.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 104.391 -2.448 . . . . 25.0 104.391 170.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -140.71 149.51 42.28 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.4 m -147.71 175.9 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.457 0.54 . . . . 25.0 112.457 -175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -130.58 150.37 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 105.199 -2.149 . . . . 25.0 105.199 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -76.46 145.52 39.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.356 1.243 . . . . 25.0 114.356 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.233 -0.889 . . . . 25.0 109.707 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 109.829 -0.434 . . . . 25.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -149.92 129.52 6.49 Favored Pre-proline 0 C--O 1.236 0.36 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.8 -171.12 1.04 Allowed 'Trans proline' 0 CA--C 1.534 0.48 0 O-C-N 122.162 0.559 . . . . 25.0 110.885 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.81 -18.2 4.85 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 112.094 -0.403 . . . . 25.0 112.094 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -140.22 79.53 21.42 Favored Pre-proline 0 N--CA 1.471 0.588 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.1 159.07 41.42 Favored 'Trans proline' 0 C--O 1.238 0.516 0 C-N-CA 118.61 -0.46 . . . . 25.0 112.206 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.25 165.74 29.33 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 118.148 -0.768 . . . . 25.0 111.424 177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -137.32 113.59 10.01 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.6 153.72 37.7 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 102.597 -3.112 . . . . 25.0 102.597 170.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -140.85 136.07 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.817 -1.549 . . . . 50.0 106.817 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.7 -5.2 82.77 Favored Glycine 0 C--O 1.226 -0.383 0 C-N-CA 121.151 -0.547 . . . . 25.0 113.535 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.11 174.21 34.69 Favored Glycine 0 C--O 1.237 0.342 0 N-CA-C 111.682 -0.567 . . . . 25.0 111.682 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -82.21 159.82 17.74 Favored 'Trans proline' 0 C--N 1.342 0.22 0 N-CA-C 115.325 1.24 . . . . 25.0 115.325 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -148.88 148.68 30.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.006 -1.109 . . . . 25.0 108.006 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.19 142.8 27.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 103.726 -2.694 . . . . 25.0 103.726 172.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.12 158.1 30.03 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 107.237 -1.394 . . . . 25.0 107.237 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -72.75 155.65 39.74 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 -176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' HA ' HG11 ' A' ' 23' ' ' VAL . 13.7 m -65.04 -18.71 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 50.0 111.942 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -78.65 -23.77 45.6 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.286 -0.87 . . . . 25.0 111.109 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.18 143.11 34.56 Favored 'General case' 0 CA--C 1.453 -2.75 1 N-CA-C 122.036 4.087 . . . . 25.0 122.036 178.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.09 -40.69 77.43 Favored 'General case' 0 N--CA 1.416 -2.157 0 CA-C-N 112.218 -2.265 . . . . 25.0 111.774 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.76 -21.38 78.92 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 114.996 -1.002 . . . . 25.0 112.55 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 18' ' ' VAL . 97.5 t -88.73 -49.21 14.36 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.935 0 CA-C-N 117.919 0.86 . . . . 50.0 110.469 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -52.02 -43.16 63.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.532 0.568 . . . . 25.0 112.532 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -27.67 69.27 Favored 'General case' 0 C--O 1.2 -1.504 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.54 -33.79 21.67 Favored 'General case' 0 C--O 1.212 -0.91 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -57.22 -62.5 1.72 Allowed 'General case' 0 C--O 1.204 -1.338 0 N-CA-C 108.888 -0.782 . . . . 25.0 108.888 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -70.13 -32.11 69.96 Favored 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 123.919 0.762 . . . . 25.0 110.207 -171.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -65.41 -47.83 74.91 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 108.859 -0.793 . . . . 25.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.76 -51.17 68.3 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.1 t -70.8 -41.41 77.39 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.028 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -173.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.5 -38.31 96.13 Favored Glycine 0 C--O 1.208 -1.509 0 N-CA-C 109.085 -1.606 . . . . 25.0 109.085 -175.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tt0 -85.3 -27.45 25.95 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-O 122.363 1.078 . . . . 25.0 111.807 -175.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -87.28 -62.98 1.38 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 123.919 1.818 . . . . 25.0 115.108 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -84.47 -51.18 7.11 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 112.028 -2.351 . . . . 25.0 113.297 -171.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.7 -32.12 69.23 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 -179.411 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -69.88 -32.11 70.28 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 -178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.8 t -75.49 151.68 37.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.54 -0.754 . . . . 25.0 109.528 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -87.67 52.13 2.4 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 25.0 111.785 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -70.62 129.53 39.43 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.437 0.637 . . . . 25.0 109.628 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 94.7 mtp -69.86 -14.48 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 25.0 112.285 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -126.01 156.86 39.22 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 105.008 -2.219 . . . . 25.0 105.008 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -79.6 112.34 16.76 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 118.294 -1.362 . . . . 25.0 109.959 -177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.2 m -88.37 140.43 29.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 103.222 -2.881 . . . . 25.0 103.222 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -147.2 146.91 30.0 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.245 -0.889 . . . . 25.0 112.08 -172.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -70.64 102.24 2.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 102.911 -2.996 . . . . 25.0 102.911 171.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.98 -48.28 58.82 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 122.107 0.956 . . . . 25.0 111.07 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -147.61 127.64 13.67 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 113.7 -1.591 . . . . 25.0 108.537 -171.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.83 126.87 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.756 -1.201 . . . . 50.0 107.756 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -85.11 -45.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -145.22 145.82 31.46 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.99 103.14 4.56 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 106.077 -1.823 . . . . 25.0 106.077 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -140.09 166.08 25.63 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.769 0.795 . . . . 25.0 111.869 -175.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 145.9 26.53 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.927 -1.033 . . . . 25.0 112.563 -179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -98.71 139.36 34.53 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mp -125.89 129.45 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.9 -151.37 13.03 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 107.912 -2.075 . . . . 25.0 107.912 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.98 -22.61 66.95 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 117.49 0.645 . . . . 25.0 110.26 178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.26 153.03 18.44 Favored Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 104.473 -3.451 . . . . 25.0 104.473 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 71.6 t -122.2 123.12 68.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 105.749 -1.945 . . . . 50.0 105.749 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.23 120.37 32.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.741 -0.466 . . . . 25.0 109.741 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.62 134.43 34.7 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.47 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.5 m-85 -122.99 113.8 19.56 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.61 -2.367 . . . . 25.0 104.61 175.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -123.01 117.84 26.4 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 -176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -113.64 133.7 55.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 123.535 1.636 . . . . 25.0 108.978 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 49' ' ' VAL 0.264 0.9 OUTLIER -145.9 140.47 21.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 N-CA-C 121.036 3.717 . . . . 50.0 121.036 -165.581 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -90.26 134.87 34.02 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 112.915 -1.948 . . . . 25.0 107.788 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.58 151.76 26.39 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 122.64 1.209 . . . . 25.0 113.466 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -167.18 168.39 40.39 Favored Glycine 0 N--CA 1.438 -1.211 0 N-CA-C 103.432 -3.867 . . . . 25.0 103.432 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -113.27 136.47 52.71 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.518 -1.66 . . . . 25.0 106.518 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 75.6 p -116.25 146.98 41.94 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.083 -0.962 . . . . 25.0 110.107 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.7 p -88.75 -24.44 22.67 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 114.546 1.313 . . . . 25.0 114.546 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.0 m -99.79 152.42 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.439 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -107.36 171.45 7.37 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 122.183 0.992 . . . . 25.0 111.163 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -23.48 64.49 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 116.017 1.858 . . . . 25.0 116.017 178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.262 0.8 OUTLIER -107.56 -15.19 14.66 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 115.615 1.709 . . . . 25.0 115.615 -179.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.439 ' HB2' ' H ' ' A' ' 74' ' ' THR . 32.9 mt-30 -73.61 153.49 89.58 Favored Pre-proline 0 C--N 1.297 -1.675 0 CA-C-N 111.601 -2.545 . . . . 25.0 108.863 172.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.2 170.8 17.34 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 120.483 0.789 . . . . 25.0 113.796 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 63.28 44.2 5.74 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.8 -16.86 59.93 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.966 1.099 . . . . 25.0 113.966 176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -80.34 -42.11 23.55 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.133 0.968 . . . . 25.0 109.305 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -79.44 -43.7 22.78 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.889 1.44 . . . . 25.0 114.889 -172.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.1 m -58.32 -60.8 9.06 Favored Pre-proline 0 CA--C 1.539 0.546 0 C-N-CA 119.655 -0.818 . . . . 25.0 111.37 -176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.3 Cg_endo -66.87 -24.79 46.0 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 115.021 -2.853 . . . . 25.0 114.751 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.35 -40.08 92.93 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 118.548 0.613 . . . . 25.0 110.549 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.57 -30.44 25.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 69.0 m-20 -62.03 -47.67 83.69 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.078 -0.389 . . . . 25.0 111.299 -177.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -54.23 -56.0 30.94 Favored Pre-proline 0 N--CA 1.471 0.621 0 N-CA-C 114.451 1.278 . . . . 25.0 114.451 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.13 -22.04 47.81 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 115.453 -2.565 . . . . 25.0 115.845 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 51.5 m170 -72.08 -22.96 61.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 122.186 -0.321 . . . . 25.0 111.583 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.64 84.65 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -33.79 70.59 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 107.966 -1.124 . . . . 25.0 107.966 175.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -86.03 90.1 8.0 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.446 -2.427 . . . . 25.0 104.446 174.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -74.67 110.14 8.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.186 -0.461 . . . . 25.0 110.893 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 133.28 35.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -124.2 139.92 53.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.93 0.871 . . . . 25.0 110.344 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 76.9 m -127.41 157.67 39.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.359 -1.291 . . . . 25.0 110.52 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.3 m -129.88 131.96 46.25 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.606 -1.257 . . . . 25.0 107.606 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -121.95 131.06 53.82 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.452 -0.944 . . . . 25.0 108.452 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -124.54 114.59 19.61 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.54 -0.911 . . . . 25.0 108.54 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.9 mt -106.88 122.82 61.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 106.573 -1.64 . . . . 25.0 106.573 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -93.91 124.78 38.14 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.78 133.89 47.09 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 104.879 -2.267 . . . . 25.0 104.879 178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.443 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -101.16 103.25 24.61 Favored Pre-proline 0 N--CA 1.433 -1.311 1 N-CA-C 97.365 -5.05 . . . . 50.0 97.365 -171.148 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -75.57 -21.58 14.69 Favored 'Trans proline' 0 N--CA 1.452 -0.953 1 C-N-CA 106.528 -8.514 . . . . 25.0 115.14 -169.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.21 -29.13 65.44 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.652 -0.704 . . . . 25.0 112.884 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -111.23 -3.45 15.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.841 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.55 16.18 75.7 Favored Glycine 0 N--CA 1.461 0.327 0 CA-C-O 121.917 0.732 . . . . 25.0 111.694 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.5 p -103.8 167.43 9.79 Favored 'General case' 0 CA--C 1.504 -0.807 0 C-N-CA 123.926 0.89 . . . . 25.0 109.225 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.436 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.2 ptt? -148.27 156.97 43.19 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 169.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.7 m -141.72 139.46 32.89 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.288 0.635 . . . . 25.0 109.77 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.61 114.0 4.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -85.21 -31.33 23.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.195 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -153.41 140.99 19.88 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-O 120.846 0.355 . . . . 25.0 111.667 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.0 p -135.65 121.94 20.41 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 102.843 -3.021 . . . . 25.0 102.843 170.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -134.89 148.44 50.09 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 104.883 -2.266 . . . . 25.0 104.883 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.8 175.26 11.07 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.613 0.968 . . . . 25.0 113.613 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -126.88 151.99 47.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 174.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -68.25 143.25 55.35 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 CA-C-O 117.908 -1.044 . . . . 25.0 109.586 179.644 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 119.475 -0.297 . . . . 25.0 110.216 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -148.48 147.05 24.12 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -73.4 166.12 30.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 117.512 -1.192 . . . . 25.0 112.67 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.82 -179.33 32.18 Favored Glycine 0 C--O 1.237 0.3 0 C-N-CA 121.268 -0.491 . . . . 25.0 113.043 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -139.48 155.2 71.99 Favored Pre-proline 0 N--CA 1.468 0.463 0 N-CA-C 105.946 -1.872 . . . . 25.0 105.946 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.11 147.59 73.52 Favored 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 116.057 -2.162 . . . . 25.0 111.827 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -74.64 154.29 44.27 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 117.997 -0.869 . . . . 25.0 113.471 -178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -159.83 171.36 19.61 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 105.789 -1.93 . . . . 25.0 105.789 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -92.48 150.87 20.51 Favored 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.205 -1.405 . . . . 25.0 107.205 174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -142.91 133.09 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 N-CA-C 105.509 -2.034 . . . . 50.0 105.509 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.28 -66.67 2.57 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 114.923 0.729 . . . . 25.0 114.923 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.83 -176.76 46.16 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 109.911 -1.276 . . . . 25.0 109.911 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.26 147.13 20.3 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 116.339 -1.974 . . . . 25.0 113.309 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.7 ptm -148.88 148.71 30.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -85.21 150.55 24.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.015 -2.957 . . . . 25.0 103.015 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.47 156.0 42.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 104.756 -2.313 . . . . 25.0 104.756 173.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -75.77 155.57 35.4 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 108.113 -1.069 . . . . 25.0 108.113 -176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 m -68.67 -19.24 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.743 -0.836 . . . . 50.0 108.743 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mp0 -72.22 -30.65 65.12 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.376 -1.284 . . . . 25.0 110.971 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.295 1.0 OUTLIER -52.42 135.42 33.41 Favored 'General case' 0 CA--C 1.442 -3.185 0 N-CA-C 121.264 3.802 . . . . 25.0 121.264 176.493 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.43 -33.78 76.3 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 113.417 -1.719 . . . . 25.0 111.727 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.16 -22.89 72.9 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.146 -0.934 . . . . 25.0 111.441 176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.2 t -88.73 -49.79 13.9 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.961 0 CA-C-N 117.916 0.858 . . . . 50.0 110.115 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -50.55 -47.39 57.76 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.199 0.454 . . . . 25.0 111.76 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -27.87 69.4 Favored 'General case' 0 C--O 1.205 -1.257 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.47 -32.06 22.47 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.9 -57.3 10.23 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 107.918 -1.141 . . . . 25.0 107.918 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -66.78 -35.23 79.6 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.484 0.49 . . . . 25.0 109.822 -174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.04 -48.91 79.56 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.3 -46.99 79.55 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 31' ' ' VAL 0.283 1.1 t -73.97 -38.6 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.29 0 N-CA-C 106.635 -1.617 . . . . 50.0 106.635 -174.062 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.32 -36.21 93.09 Favored Glycine 0 C--O 1.211 -1.285 0 N-CA-C 107.946 -2.062 . . . . 25.0 107.946 -176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.8 tt0 -85.26 -28.9 25.04 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 122.481 1.134 . . . . 25.0 112.134 -176.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -87.22 -62.91 1.39 Allowed 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 116.198 1.925 . . . . 25.0 116.198 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -84.53 -52.0 6.46 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 112.172 -2.286 . . . . 25.0 112.015 -171.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -71.77 -29.98 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.623 -0.717 . . . . 25.0 109.966 -178.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.58 -32.06 67.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.079 -1.452 . . . . 25.0 107.079 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -73.17 151.26 41.6 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.364 -0.976 . . . . 25.0 108.364 173.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -87.09 54.59 3.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.593 0.711 . . . . 25.0 111.141 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -70.39 128.93 37.87 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.491 0.662 . . . . 25.0 110.285 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.5 mmt -72.82 -17.28 61.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.65 -0.704 . . . . 25.0 111.625 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -113.99 165.14 12.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.535 -0.913 . . . . 25.0 108.535 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -81.66 112.52 18.92 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.3 m -113.94 134.95 54.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -150.48 164.55 35.65 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -71.74 102.08 2.73 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 102.657 -3.09 . . . . 25.0 102.657 169.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -48.48 81.52 Favored 'General case' 0 CA--C 1.489 -1.388 0 N-CA-C 112.25 0.463 . . . . 25.0 112.25 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -157.57 136.0 11.21 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 114.891 -1.05 . . . . 25.0 108.75 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.18 130.59 35.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 32.6 t -87.33 -45.87 16.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 107.516 -1.29 . . . . 50.0 107.516 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -146.5 151.02 36.69 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.76 118.98 8.3 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 105.601 -2.0 . . . . 25.0 105.601 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.51 168.89 24.07 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-O 121.23 0.538 . . . . 25.0 111.777 -175.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.8 156.52 48.68 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.074 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -125.65 108.92 12.02 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 104.791 -2.3 . . . . 25.0 104.791 175.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.8 mt -101.34 138.54 25.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -180.0 -151.98 10.45 Favored Glycine 0 C--O 1.226 -0.383 0 N-CA-C 108.403 -1.879 . . . . 25.0 108.403 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.92 67.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 117.56 0.68 . . . . 25.0 109.773 178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.48 155.55 20.52 Favored Glycine 0 N--CA 1.449 -0.483 1 N-CA-C 101.827 -4.509 . . . . 25.0 101.827 173.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.88 132.1 71.75 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 CA-C-N 119.111 1.456 . . . . 50.0 108.985 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -123.53 129.45 51.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.234 0.54 . . . . 25.0 110.123 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -97.33 132.95 42.57 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 104.551 -2.389 . . . . 25.0 104.551 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.8 m-85 -123.19 119.63 30.8 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.005 -1.479 . . . . 25.0 107.005 177.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -122.84 133.58 54.43 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.459 -1.312 . . . . 25.0 107.459 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -121.49 132.79 54.92 Favored 'General case' 0 CA--C 1.482 -1.635 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.556 HG23 HG22 ' A' ' 49' ' ' VAL 0.296 0.9 OUTLIER -144.66 139.1 23.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 N-CA-C 121.413 3.857 . . . . 50.0 121.413 -165.809 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -90.19 137.51 32.29 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 113.08 -1.873 . . . . 25.0 108.535 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.1 mp -116.44 149.0 40.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 122.4 1.095 . . . . 25.0 113.699 178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.25 172.15 42.75 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 103.834 -3.706 . . . . 25.0 103.834 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -121.02 140.43 51.93 Favored 'General case' 0 CA--C 1.503 -0.851 0 N-CA-C 105.982 -1.858 . . . . 25.0 105.982 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 59.6 p -101.78 146.79 27.29 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.702 0.763 . . . . 25.0 112.511 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.7 p -87.97 1.03 55.14 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 176.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 m -100.77 138.12 38.24 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 114.554 -1.203 . . . . 25.0 108.387 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 p -137.21 173.28 11.85 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.694 -0.685 . . . . 25.0 110.32 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -60.86 -23.63 65.3 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 115.148 1.536 . . . . 25.0 115.148 176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.267 0.7 OUTLIER -104.55 -14.79 15.54 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 118.451 2.76 . . . . 25.0 118.451 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -55.07 149.77 23.13 Favored Pre-proline 0 C--N 1.302 -1.457 0 CA-C-N 112.808 -1.997 . . . . 25.0 111.476 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -73.86 -19.48 20.81 Favored 'Trans proline' 0 C--O 1.219 -0.463 0 N-CA-C 118.325 2.394 . . . . 25.0 118.325 -172.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.75 77.57 1.69 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.513 0.597 . . . . 25.0 112.417 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -67.72 -13.76 62.38 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 116.367 1.988 . . . . 25.0 116.367 -178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.64 -42.33 11.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.491 1.138 . . . . 25.0 111.164 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -83.19 -34.98 25.82 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.847 -1.07 . . . . 25.0 113.607 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.0 t -61.34 -57.97 21.94 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 120.163 -0.615 . . . . 25.0 111.038 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.76 -22.78 42.78 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 116.578 -1.814 . . . . 25.0 113.573 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -60.78 -44.54 96.68 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.86 -0.422 . . . . 25.0 109.86 174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -84.65 -29.65 25.52 Favored 'General case' 0 C--O 1.218 -0.578 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -47.27 84.49 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.712 -0.618 . . . . 25.0 110.627 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -49.99 -58.27 9.99 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.34 -26.22 48.61 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.978 -2.881 . . . . 25.0 115.309 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -75.5 -26.55 58.22 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.55 107.34 0.66 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.947 0.88 . . . . 25.0 112.893 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.8 174.46 7.33 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 103.047 -2.945 . . . . 25.0 103.047 169.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 56.09 51.99 11.08 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.151 0.977 . . . . 25.0 111.133 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -75.42 110.26 9.64 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.169 -1.419 . . . . 25.0 107.169 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.27 153.07 22.26 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -123.98 124.17 42.0 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-O 122.666 1.222 . . . . 25.0 108.307 175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 68' ' ' LEU . 79.4 m -114.52 160.03 19.7 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.459 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.9 m -128.54 129.92 46.69 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -123.72 132.08 53.74 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.29 -0.868 . . . . 25.0 108.843 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -126.01 118.14 24.72 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.589 -0.893 . . . . 25.0 108.589 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.32 119.71 56.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 106.351 -1.722 . . . . 25.0 106.351 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -90.43 125.35 35.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 105.485 -2.043 . . . . 25.0 105.485 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.34 134.03 47.42 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -101.74 103.24 27.16 Favored Pre-proline 0 N--CA 1.434 -1.27 1 N-CA-C 96.684 -5.302 . . . . 50.0 96.684 -171.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -75.55 -19.15 17.0 Favored 'Trans proline' 0 N--CA 1.451 -0.998 1 C-N-CA 106.656 -8.43 . . . . 25.0 115.183 -168.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -61.78 -29.23 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -175.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -109.8 -3.46 16.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.399 0.142 . . . . 25.0 111.265 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.98 17.4 78.56 Favored Glycine 0 C--O 1.228 -0.228 0 CA-C-O 121.992 0.773 . . . . 25.0 111.423 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.8 p -103.05 167.32 9.9 Favored 'General case' 0 CA--C 1.505 -0.785 0 C-N-CA 123.573 0.749 . . . . 25.0 109.058 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 25.5 ptp -148.29 157.09 43.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 170.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -144.47 141.95 29.94 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 123.359 0.664 . . . . 25.0 109.894 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.63 115.25 5.61 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 108.809 -0.812 . . . . 25.0 108.809 175.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -91.5 -26.4 18.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 25.0 111.673 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -150.97 141.19 22.26 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 109.774 -0.454 . . . . 25.0 109.774 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.78 114.92 8.33 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 102.977 -2.971 . . . . 25.0 102.977 173.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -137.58 154.05 49.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 106.671 -1.603 . . . . 25.0 106.671 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -144.32 175.0 10.42 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.933 -0.395 . . . . 25.0 109.933 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -127.51 151.95 48.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.685 -0.689 . . . . 25.0 111.942 -178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -86.41 151.43 23.54 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 172.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.338 -1.315 . . . . 25.0 108.524 -178.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 110.476 -0.194 . . . . 25.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.04 84.82 7.87 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 107.101 -1.444 . . . . 25.0 107.101 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -73.85 -6.06 18.01 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 116.776 1.799 . . . . 25.0 116.776 -176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.93 175.71 29.28 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-O 122.291 0.94 . . . . 25.0 114.299 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -152.85 58.75 2.55 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 114.404 -0.898 . . . . 25.0 111.239 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.48 147.48 46.43 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 116.93 -1.58 . . . . 25.0 113.798 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -79.38 168.66 19.77 Favored 'Trans proline' 0 C--N 1.347 0.485 0 CA-C-O 121.089 0.37 . . . . 25.0 112.226 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -154.24 150.02 27.6 Favored 'General case' 0 C--O 1.221 -0.396 0 N-CA-C 107.336 -1.357 . . . . 25.0 107.336 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -107.19 33.12 4.15 Favored 'General case' 0 CA--C 1.45 -2.866 0 CA-C-O 122.135 0.969 . . . . 25.0 109.606 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -151.58 153.43 9.78 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.629 0 N-CA-C 102.336 -3.209 . . . . 50.0 102.336 175.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.91 177.82 46.85 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.126 -1.035 . . . . 25.0 113.104 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.91 178.6 48.11 Favored Glycine 0 C--O 1.244 0.731 0 N-CA-C 103.616 -3.793 . . . . 25.0 103.616 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.51 139.63 23.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 115.556 -2.496 . . . . 25.0 112.513 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -149.0 148.73 30.09 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.339 -0.392 . . . . 25.0 109.944 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.58 141.05 30.11 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 105.499 -2.038 . . . . 25.0 105.499 173.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.55 156.96 33.12 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m -71.56 156.8 39.0 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.717 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.75 -19.43 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.272 0.558 . . . . 50.0 110.742 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.44 -28.03 60.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.186 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.278 0.9 OUTLIER -54.39 136.86 43.32 Favored 'General case' 0 CA--C 1.439 -3.324 0 N-CA-C 120.183 3.401 . . . . 25.0 120.183 178.408 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -67.26 -27.48 67.24 Favored 'General case' 0 N--CA 1.407 -2.6 0 CA-C-N 113.341 -1.754 . . . . 25.0 112.05 -173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.51 -23.53 77.52 Favored Glycine 0 C--O 1.225 -0.42 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.491 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.4 t -88.47 -46.66 15.62 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 CA-C-N 117.707 0.754 . . . . 50.0 110.637 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -51.26 -44.75 61.85 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -27.03 69.0 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 113.591 0.96 . . . . 25.0 113.591 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -33.82 21.69 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.49 -63.02 1.3 Allowed 'General case' 0 C--O 1.205 -1.276 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -70.37 -33.49 71.5 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 124.022 0.826 . . . . 25.0 110.538 -170.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -65.28 -47.23 77.36 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.1 74.84 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 113.717 1.006 . . . . 25.0 113.717 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.285 1.2 t -71.87 -40.44 68.78 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.079 0 N-CA-C 106.264 -1.754 . . . . 50.0 106.264 -173.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.09 -37.0 94.21 Favored Glycine 0 N--CA 1.435 -1.375 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 -175.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.6 tt0 -85.51 -28.07 25.2 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.138 0.97 . . . . 25.0 111.813 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -87.06 -62.65 1.45 Allowed 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.307 1.966 . . . . 25.0 116.307 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -84.31 -53.0 5.78 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.627 -2.079 . . . . 25.0 111.94 -172.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -69.87 -30.86 68.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.039 -178.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.68 -32.16 65.59 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.367 -0.975 . . . . 25.0 108.367 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.3 t -73.92 153.06 39.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.57 -0.741 . . . . 25.0 109.86 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -87.07 53.05 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.525 0.679 . . . . 25.0 110.131 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -67.01 128.9 38.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.745 -0.661 . . . . 25.0 109.684 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.4 mtm -75.61 -14.76 60.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.79 -0.641 . . . . 25.0 110.012 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -114.03 164.94 13.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.02 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -85.65 112.65 21.2 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.214 -1.402 . . . . 25.0 107.214 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.7 m -125.61 144.55 50.53 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -150.95 163.55 38.45 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 -175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.4 105.16 2.08 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 101.716 -3.438 . . . . 25.0 101.716 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.71 -49.9 64.54 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 121.879 0.847 . . . . 25.0 109.137 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.44 130.21 9.23 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.784 -1.553 . . . . 25.0 109.397 -170.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -76.87 132.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 176.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.9 t -87.91 -48.94 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 107.218 -1.401 . . . . 50.0 107.218 177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 77.7 mmt-85 -144.8 145.48 31.66 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.46 114.85 9.82 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -149.34 163.74 36.86 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-O 121.54 0.686 . . . . 25.0 111.747 -173.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 153.86 35.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.212 -0.904 . . . . 25.0 113.37 -178.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.61 136.09 39.19 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 103.937 -2.616 . . . . 25.0 103.937 175.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 mm -124.43 132.29 71.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 107.286 -1.375 . . . . 25.0 107.286 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.08 -153.64 24.62 Favored Glycine 0 C--O 1.228 -0.254 0 N-CA-C 109.979 -1.248 . . . . 25.0 109.979 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.37 -21.4 64.01 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.234 0.54 . . . . 25.0 110.9 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.67 135.37 8.35 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 104.295 -3.522 . . . . 25.0 104.295 173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.2 t -113.72 131.06 66.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 105.137 -2.172 . . . . 50.0 105.137 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -137.31 117.88 13.89 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.868 -0.52 . . . . 25.0 110.02 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -91.64 134.86 34.33 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.467 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.0 m-85 -123.19 118.88 28.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 105.193 -2.151 . . . . 25.0 105.193 175.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.97 117.54 23.48 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -111.64 132.15 54.78 Favored 'General case' 0 CA--C 1.489 -1.399 0 CA-C-O 123.743 1.735 . . . . 25.0 109.052 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.586 HG23 HG22 ' A' ' 49' ' ' VAL 0.253 0.9 OUTLIER -144.56 141.16 23.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 N-CA-C 120.349 3.463 . . . . 50.0 120.349 -166.654 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -92.98 135.21 34.36 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.23 -1.805 . . . . 25.0 107.134 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.438 HD13 ' SG ' ' A' ' 97' ' ' CYS . 10.0 mp -113.73 154.22 27.69 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-O 121.958 0.885 . . . . 25.0 111.161 175.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -170.42 147.11 10.34 Favored Glycine 0 N--CA 1.438 -1.17 0 N-CA-C 105.459 -3.056 . . . . 25.0 105.459 177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -77.91 136.06 37.96 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 106.355 -1.72 . . . . 25.0 106.355 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -92.76 144.84 24.9 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.971 0.415 . . . . 25.0 111.129 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 p -75.05 -19.47 60.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.05 -0.523 . . . . 25.0 112.242 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 76.7 m -105.2 165.84 10.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.559 . . . . 25.0 112.389 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -90.03 165.52 13.98 Favored 'General case' 0 N--CA 1.435 -1.212 0 CA-C-O 123.266 1.508 . . . . 25.0 113.151 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.64 -19.4 63.75 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 111.949 -2.387 . . . . 25.0 115.433 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.273 0.8 OUTLIER -108.67 -15.08 14.49 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 117.825 2.528 . . . . 25.0 117.825 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -60.46 153.37 60.65 Favored Pre-proline 0 C--N 1.3 -1.562 0 CA-C-N 112.623 -2.081 . . . . 25.0 114.128 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.4 18.69 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.79 2.327 . . . . 25.0 117.453 -174.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -140.55 40.55 1.88 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.003 1.112 . . . . 25.0 114.003 -174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -12.43 38.84 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.389 1.996 . . . . 25.0 116.389 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -90.73 -42.06 10.92 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 119.701 -0.799 . . . . 25.0 110.557 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -81.59 -37.19 28.04 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 114.842 1.423 . . . . 25.0 114.842 -173.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.1 m -62.03 -54.87 46.26 Favored Pre-proline 0 C--O 1.216 -0.698 0 C-N-CA 119.659 -0.816 . . . . 25.0 110.481 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 48.7 Cg_endo -64.72 -24.61 61.94 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 114.614 -3.124 . . . . 25.0 114.152 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.09 -38.17 89.87 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 174.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -81.45 -19.65 41.97 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.301 0.572 . . . . 25.0 112.205 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 73.4 m-20 -77.15 -31.45 55.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -55.1 -54.64 48.04 Favored Pre-proline 0 N--CA 1.466 0.348 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.43 -23.36 44.08 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 113.391 -3.94 . . . . 25.0 114.557 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -76.69 -11.52 59.86 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.43 0.53 . . . . 25.0 112.43 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.82 98.48 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.246 -0.65 . . . . 25.0 109.246 176.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -76.75 -12.4 59.98 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.136 0.493 . . . . 25.0 110.204 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.7 mtm105 -130.71 132.01 45.11 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 102.643 -3.095 . . . . 25.0 102.643 173.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -96.57 141.79 29.41 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.997 -1.853 . . . . 25.0 105.997 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.13 130.36 52.41 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 105.877 -1.897 . . . . 25.0 105.877 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -124.17 139.98 53.41 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.279 1.038 . . . . 25.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' SG ' HD13 ' A' ' 68' ' ' LEU . 78.6 m -125.36 157.41 36.82 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.968 -1.469 . . . . 25.0 110.962 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.3 m -129.84 121.32 26.51 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 107.89 -1.152 . . . . 25.0 107.89 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -114.41 134.37 55.04 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -130.5 123.01 28.69 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 53.9 mt -117.62 118.07 57.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -90.39 125.99 35.73 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.244 -1.762 . . . . 25.0 106.244 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.15 136.04 44.51 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.46 103.31 34.92 Favored Pre-proline 0 N--CA 1.433 -1.288 1 N-CA-C 96.556 -5.35 . . . . 50.0 96.556 -170.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.06 -21.66 15.51 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 106.694 -8.404 . . . . 25.0 114.757 -169.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -61.73 -18.38 59.52 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.395 1.257 . . . . 25.0 114.395 -176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -123.58 1.19 8.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.645 0.26 . . . . 25.0 110.703 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.41 14.96 69.89 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-O 122.055 0.808 . . . . 25.0 112.188 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -101.57 167.46 10.11 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.43 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.7 ptt? -148.32 157.56 43.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.0 m -140.38 138.94 35.19 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.045 0.538 . . . . 25.0 109.946 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 115' ' ' SER . 33.4 tp -65.45 111.83 3.27 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 107.851 -1.166 . . . . 25.0 107.851 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.9 t -84.15 -27.88 27.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.644 -0.707 . . . . 25.0 112.346 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -155.33 144.84 21.18 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.503 -0.554 . . . . 25.0 109.503 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 112' ' ' LEU . 25.9 p -144.38 114.42 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 105.194 -2.15 . . . . 25.0 105.194 172.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -131.21 148.92 52.76 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 105.575 -2.009 . . . . 25.0 105.575 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -151.09 170.45 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.774 1.027 . . . . 25.0 113.774 -173.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -122.31 160.26 25.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.51 -1.223 . . . . 25.0 107.878 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.67 112.63 2.33 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.673 1.361 . . . . 25.0 114.673 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.66 -0.686 . . . . 25.0 111.318 177.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 109.836 -0.431 . . . . 25.0 109.836 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -68.45 153.51 95.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.493 -0.558 . . . . 25.0 109.493 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.76 148.94 59.67 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 116.142 -2.105 . . . . 25.0 112.26 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.58 32.93 3.8 Favored Glycine 0 C--O 1.224 -0.495 0 C-N-CA 121.261 -0.495 . . . . 25.0 113.852 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -154.58 148.5 18.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 117.23 0.515 . . . . 25.0 109.693 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.07 166.19 29.65 Favored 'Trans proline' 0 CA--C 1.533 0.473 0 O-C-N 122.196 0.577 . . . . 25.0 110.819 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -73.07 -12.21 25.69 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 117.494 -1.204 . . . . 25.0 113.671 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -132.82 111.41 11.08 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 mp -101.56 63.6 0.96 Allowed 'General case' 0 CA--C 1.453 -2.785 0 CA-C-O 123.191 1.472 . . . . 25.0 109.909 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -150.06 141.63 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.445 0 CA-C-N 111.442 -2.617 . . . . 50.0 104.252 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.11 174.74 47.02 Favored Glycine 0 N--CA 1.45 -0.398 0 N-CA-C 110.179 -1.169 . . . . 25.0 110.179 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 174.41 -177.69 46.49 Favored Glycine 0 N--CA 1.45 -0.372 0 N-CA-C 104.627 -3.389 . . . . 25.0 104.627 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -73.6 138.29 26.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 115.596 -2.47 . . . . 25.0 112.928 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -148.78 150.71 33.56 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.21 147.08 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.354 -1.35 . . . . 25.0 107.354 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 159.41 29.34 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -70.98 156.49 39.57 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.497 -0.927 . . . . 25.0 108.497 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.536 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.6 m -64.72 -17.74 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 121.517 0.675 . . . . 50.0 111.732 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -85.65 -16.05 40.44 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.224 -0.898 . . . . 25.0 112.344 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.259 0.6 OUTLIER -57.99 146.39 32.73 Favored 'General case' 0 CA--C 1.455 -2.691 0 N-CA-C 120.985 3.698 . . . . 25.0 120.985 175.036 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -55.5 -42.68 74.78 Favored 'General case' 0 N--CA 1.42 -1.933 0 CA-C-N 112.52 -2.127 . . . . 25.0 111.693 -176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.65 -21.32 78.84 Favored Glycine 0 C--O 1.224 -0.514 0 CA-C-N 114.815 -1.084 . . . . 25.0 113.246 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 18' ' ' VAL . 98.7 t -88.54 -48.57 14.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 118.353 1.077 . . . . 50.0 110.541 177.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -52.63 -42.41 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.78 -25.24 67.16 Favored 'General case' 0 C--O 1.202 -1.444 0 N-CA-C 113.722 1.008 . . . . 25.0 113.722 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.17 -34.44 22.09 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 107.429 -1.322 . . . . 25.0 107.429 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 31' ' ' VAL . 22.4 mt -59.44 -63.0 1.46 Allowed 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 109.465 -0.569 . . . . 25.0 109.465 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -71.01 -24.53 62.39 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -70.99 -43.91 67.02 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.356 -0.538 . . . . 25.0 109.6 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.83 89.47 Favored 'General case' 0 CA--C 1.564 1.505 0 N-CA-C 114.771 1.397 . . . . 25.0 114.771 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 27' ' ' LEU . 1.2 t -82.74 -22.68 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.466 -2.252 0 N-CA-C 106.509 -1.663 . . . . 50.0 106.509 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.568 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -59.85 -37.48 92.59 Favored Glycine 0 C--O 1.198 -2.095 0 N-CA-C 103.71 -3.756 . . . . 25.0 103.71 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -85.41 -28.09 25.35 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 123.335 1.54 . . . . 25.0 113.413 -176.409 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -85.64 -62.83 1.44 Allowed 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 123.402 1.572 . . . . 25.0 114.239 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.499 ' HB2' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -83.76 -51.93 6.82 Favored 'General case' 0 CA--C 1.476 -1.883 1 N-CA-C 122.75 4.352 . . . . 25.0 122.75 174.818 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.568 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -64.44 -26.07 68.29 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 177.501 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -83.14 -32.17 26.81 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.881 0.697 . . . . 25.0 112.881 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.8 m -96.13 159.5 14.93 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.277 1.584 . . . . 25.0 115.277 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -97.98 52.53 1.06 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.503 -0.771 . . . . 25.0 109.14 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -68.43 128.11 35.42 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -75.58 -12.77 60.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.053 -0.522 . . . . 25.0 111.053 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -123.87 164.22 19.68 Favored 'General case' 0 C--O 1.214 -0.787 0 N-CA-C 105.614 -1.995 . . . . 25.0 105.614 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -88.59 112.41 23.03 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 118.121 -1.432 . . . . 25.0 108.673 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.44 128.59 41.61 Favored 'General case' 0 C--O 1.18 -2.557 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 165.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -155.49 171.22 20.29 Favored 'General case' 0 CA--C 1.489 -1.373 0 N-CA-C 104.764 -2.31 . . . . 25.0 104.764 -164.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -56.41 102.21 0.07 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.017 -1.105 . . . . 25.0 108.017 170.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.98 -48.36 30.93 Favored 'General case' 0 CA--C 1.49 -1.347 0 CA-C-O 122.041 0.924 . . . . 25.0 110.322 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -149.62 131.1 14.79 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.665 -1.607 . . . . 25.0 108.58 -171.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.76 130.28 36.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -87.74 -45.4 16.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.805 -1.183 . . . . 50.0 107.805 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -143.98 146.07 32.66 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.096 -1.076 . . . . 25.0 108.096 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.9 103.21 4.15 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -139.59 168.05 20.7 Favored 'General case' 0 CA--C 1.486 -1.509 0 CA-C-O 121.96 0.886 . . . . 25.0 113.028 -175.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.56 143.81 30.14 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.537 -1.21 . . . . 25.0 111.683 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -98.95 134.78 41.32 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.06 134.04 66.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 106.394 -1.706 . . . . 25.0 106.394 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.93 -148.52 8.32 Favored Glycine 0 C--O 1.226 -0.373 0 N-CA-C 106.226 -2.75 . . . . 25.0 106.226 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.16 68.18 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 117.906 0.853 . . . . 25.0 110.12 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.72 163.18 20.72 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 104.798 -3.321 . . . . 25.0 104.798 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 79.9 t -122.97 128.24 75.08 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.953 0 N-CA-C 106.176 -1.787 . . . . 50.0 106.176 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 123.82 31.69 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 121.921 -0.487 . . . . 25.0 110.443 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -91.69 134.77 34.42 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.164 -1.421 . . . . 25.0 107.164 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.469 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 97.5 m-85 -123.27 113.5 18.97 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 104.991 -2.226 . . . . 25.0 104.991 177.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -121.01 116.73 25.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.863 -0.791 . . . . 25.0 108.863 -176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -109.08 134.39 51.75 Favored 'General case' 0 CA--C 1.49 -1.355 0 CA-C-O 123.497 1.617 . . . . 25.0 108.732 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL 0.268 0.9 OUTLIER -145.83 140.56 21.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.244 0 N-CA-C 121.324 3.824 . . . . 50.0 121.324 -165.638 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.01 134.92 34.65 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.191 -1.822 . . . . 25.0 108.629 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mp -114.88 155.6 26.52 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 122.486 1.136 . . . . 25.0 110.761 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.24 163.79 35.44 Favored Glycine 0 N--CA 1.434 -1.478 0 N-CA-C 105.808 -2.917 . . . . 25.0 105.808 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.9 mtm-85 -91.64 129.81 37.55 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 105.34 -2.096 . . . . 25.0 105.34 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 p -108.9 146.24 34.09 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.52 0.676 . . . . 25.0 111.845 -174.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.7 p -76.88 -20.99 55.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.989 -1.005 . . . . 25.0 112.727 -176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.4 m -126.72 160.05 31.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 115.147 1.536 . . . . 25.0 115.147 -176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.458 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 6.5 p -95.46 172.56 8.0 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.003 -1.453 . . . . 25.0 110.214 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -64.91 -14.59 60.31 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 115.047 1.499 . . . . 25.0 115.047 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.2 -14.46 14.18 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 118.583 2.809 . . . . 25.0 118.583 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.9 mm100 -50.9 153.46 2.99 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 112.361 -2.2 . . . . 25.0 112.982 178.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.04 -7.34 20.59 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 N-CA-C 118.05 2.289 . . . . 25.0 118.05 -174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.48 57.28 1.81 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.698 1.37 . . . . 25.0 114.698 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mp -63.36 -10.64 17.55 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.06 -42.36 16.21 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 122.739 1.257 . . . . 25.0 108.757 177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -84.41 -37.48 21.42 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 114.452 -1.249 . . . . 25.0 114.242 -172.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 64.0 m -60.04 -55.37 46.15 Favored Pre-proline 0 C--O 1.216 -0.706 0 C-N-CA 119.695 -0.802 . . . . 25.0 111.44 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.3 Cg_endo -70.14 -26.23 25.99 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 114.404 -3.264 . . . . 25.0 114.064 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -61.1 -33.17 72.94 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 118.431 0.56 . . . . 25.0 110.521 175.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -83.54 -41.72 17.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.582 0.706 . . . . 25.0 111.65 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.1 m-20 -67.46 -42.76 82.49 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 -172.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -59.95 -51.07 83.21 Favored Pre-proline 0 N--CA 1.467 0.409 0 C-N-CA 118.657 -1.217 . . . . 25.0 113.778 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.72 -20.44 35.0 Favored 'Trans proline' 0 CA--C 1.539 0.75 1 C-N-CA 112.9 -4.267 . . . . 25.0 114.126 176.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 19.8 t-160 -66.14 -37.03 84.69 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 108.695 -0.854 . . . . 25.0 108.695 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 86.35 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.706 0.765 . . . . 25.0 110.838 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 174.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -91.31 80.03 5.59 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.832 -1.544 . . . . 25.0 106.832 176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -72.22 112.45 8.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.084 -0.507 . . . . 25.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.56 140.83 33.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.399 -2.074 . . . . 25.0 105.399 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -123.94 137.55 54.6 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.893 0.854 . . . . 25.0 109.157 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.9 m -129.19 156.6 43.68 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.021 -0.99 . . . . 25.0 110.417 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.4 m -129.85 130.04 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.03 130.06 55.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -127.65 113.26 15.82 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.4 mt -107.84 122.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -92.1 124.0 35.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.5 135.8 41.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 104.651 -2.352 . . . . 25.0 104.651 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.432 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.1 t -99.51 103.15 19.3 Favored Pre-proline 0 N--CA 1.436 -1.153 1 N-CA-C 96.044 -5.539 . . . . 50.0 96.044 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -75.36 -21.62 15.02 Favored 'Trans proline' 0 N--CA 1.451 -0.983 1 C-N-CA 106.832 -8.312 . . . . 25.0 115.004 -167.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -60.22 -29.25 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.32 -0.855 . . . . 25.0 113.296 -176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -109.53 -4.32 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.425 -0.352 . . . . 25.0 111.492 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.26 16.54 77.1 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-O 121.71 0.617 . . . . 25.0 111.711 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -103.3 167.18 9.98 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.432 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.5 ptt? -148.08 157.61 43.61 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 170.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -139.89 138.89 36.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 123.259 0.623 . . . . 25.0 109.468 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.1 tp -65.58 115.53 5.88 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.9 t -83.35 -35.2 25.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.449 0.642 . . . . 25.0 109.829 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -150.67 141.04 22.37 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.922 -0.581 . . . . 25.0 112.293 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.01 128.14 35.67 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 102.479 -3.156 . . . . 25.0 102.479 171.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.9 t -140.02 147.19 40.04 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 104.796 -2.298 . . . . 25.0 104.796 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -174.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -129.46 156.23 44.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 105.64 -1.985 . . . . 25.0 105.64 174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -85.31 147.2 26.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.736 0.273 . . . . 25.0 111.736 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 178.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 119.051 -0.499 . . . . 25.0 110.629 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 46.64 59.47 15.93 Favored Pre-proline 0 N--CA 1.477 0.894 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.1 -18.58 14.33 Favored 'Trans proline' 0 C--N 1.348 0.533 0 N-CA-C 118.273 2.374 . . . . 25.0 118.273 -172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.32 -11.98 34.79 Favored Glycine 0 CA--C 1.523 0.57 0 C-N-CA 120.441 -0.885 . . . . 25.0 113.804 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -62.21 129.38 92.16 Favored Pre-proline 0 C--O 1.239 0.516 0 O-C-N 122.475 -0.427 . . . . 25.0 110.227 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.36 156.38 50.5 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 117.228 -1.381 . . . . 25.0 111.754 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -75.56 158.8 39.85 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 117.199 -1.4 . . . . 25.0 111.487 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -62.76 134.11 55.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.371 -1.715 . . . . 25.0 106.371 175.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.6 mt -94.96 98.99 11.09 Favored 'General case' 0 CA--C 1.477 -1.86 0 CA-C-O 124.166 1.936 . . . . 25.0 113.051 -176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 44.6 t -88.27 -32.08 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 CA-C-N 110.182 -3.19 . . . . 50.0 109.464 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.19 5.43 89.66 Favored Glycine 0 N--CA 1.461 0.316 0 C-N-CA 120.987 -0.625 . . . . 25.0 112.86 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -156.74 -167.02 17.35 Favored Glycine 0 C--O 1.241 0.587 0 N-CA-C 108.672 -1.771 . . . . 25.0 108.672 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 92.0 Cg_endo -72.91 146.91 42.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 CA-C-N 119.217 1.508 . . . . 25.0 113.02 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.02 149.05 30.47 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.31 150.52 24.28 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 103.832 -2.655 . . . . 25.0 103.832 170.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.65 150.44 48.95 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 106.011 -1.848 . . . . 25.0 106.011 173.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 m -69.69 155.84 39.9 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' HA ' HG11 ' A' ' 23' ' ' VAL . 10.4 m -65.72 -21.52 29.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.625 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -67.77 -30.21 69.6 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.97 -1.013 . . . . 25.0 111.991 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.288 0.5 OUTLIER -49.97 135.45 20.14 Favored 'General case' 0 CA--C 1.447 -2.996 1 N-CA-C 122.312 4.19 . . . . 25.0 122.312 176.108 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -63.27 -31.39 72.53 Favored 'General case' 0 N--CA 1.412 -2.369 0 CA-C-N 112.967 -1.924 . . . . 25.0 111.877 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -23.35 78.19 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.564 -0.744 . . . . 25.0 111.343 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.3 t -88.28 -54.02 8.66 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 117.577 0.688 . . . . 50.0 111.408 177.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -52.02 -42.24 62.88 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 118.225 0.466 . . . . 25.0 112.254 -175.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.82 -30.09 71.22 Favored 'General case' 0 C--O 1.196 -1.715 0 C-N-CA 119.784 -0.767 . . . . 25.0 113.067 179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.29 -34.63 21.86 Favored 'General case' 0 C--O 1.211 -0.96 0 N-CA-C 107.841 -1.17 . . . . 25.0 107.841 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.64 -61.13 2.74 Favored 'General case' 0 C--O 1.203 -1.352 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.65 -35.45 80.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.84 0.713 . . . . 25.0 109.528 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -64.77 -49.53 70.38 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.782 -0.821 . . . . 25.0 108.782 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.18 84.45 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 114.422 1.268 . . . . 25.0 114.422 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 31' ' ' VAL 0.282 1.1 t -74.8 -38.43 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.292 0 N-CA-C 105.37 -2.085 . . . . 50.0 105.37 -174.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.478 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.47 -35.73 92.43 Favored Glycine 0 C--O 1.207 -1.56 0 N-CA-C 108.114 -1.994 . . . . 25.0 108.114 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 56.2 tt0 -85.48 -29.08 24.57 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.919 0.866 . . . . 25.0 112.015 -176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -87.24 -62.9 1.4 Allowed 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 123.848 1.785 . . . . 25.0 115.304 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -84.55 -51.38 6.92 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 111.764 -2.471 . . . . 25.0 112.248 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -72.21 -30.16 64.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.945 -0.57 . . . . 25.0 109.788 -178.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.59 -31.86 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.28 -1.378 . . . . 25.0 107.28 -178.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -80.3 157.09 26.5 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.242 -0.89 . . . . 25.0 111.063 177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -98.64 53.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.27 0.557 . . . . 25.0 110.137 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -63.06 132.17 51.03 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.367 0.604 . . . . 25.0 109.565 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.2 ptm -63.82 -20.12 65.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.486 ' HB2' ' HD3' ' A' ' 70' ' ' ARG . 37.3 m-85 -131.39 164.91 24.65 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 104.635 -2.357 . . . . 25.0 104.635 175.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 74' ' ' THR . 73.0 m-70 -79.75 112.43 17.03 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 118.885 -1.126 . . . . 25.0 111.901 -176.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.0 m -101.51 143.22 31.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.745 -2.317 . . . . 25.0 104.745 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -156.33 163.58 39.33 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.71 102.58 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 101.79 -3.411 . . . . 25.0 101.79 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -70.78 -48.2 55.5 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-O 121.87 0.843 . . . . 25.0 110.571 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.18 130.85 14.03 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 113.78 -1.555 . . . . 25.0 109.172 -173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.5 125.72 40.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 177.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.9 t -83.7 -43.25 17.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.085 -1.45 . . . . 50.0 107.085 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -143.61 138.31 28.94 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -136.76 105.61 5.9 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 107.379 -1.341 . . . . 25.0 107.379 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 161.15 38.67 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 121.531 0.681 . . . . 25.0 110.996 -173.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.33 156.31 40.5 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.057 -0.974 . . . . 25.0 111.796 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 62.8 tt0 -98.78 135.72 39.84 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 105.265 -2.124 . . . . 25.0 105.265 177.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.9 mm -120.49 130.79 74.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 106.411 -1.7 . . . . 25.0 106.411 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.79 -153.11 24.25 Favored Glycine 0 N--CA 1.453 -0.214 0 N-CA-C 109.866 -1.294 . . . . 25.0 109.866 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.91 -14.67 55.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.21 0.529 . . . . 25.0 111.54 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.02 138.42 9.77 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 103.896 -3.682 . . . . 25.0 103.896 174.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.6 t -115.99 128.55 73.24 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.969 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -137.25 116.76 12.85 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.864 -0.522 . . . . 25.0 110.078 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -93.52 134.46 35.76 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 122.56 0.344 . . . . 25.0 110.096 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -123.34 117.44 25.24 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.017 -1.475 . . . . 25.0 107.017 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.1 117.73 29.49 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 106.117 -1.809 . . . . 25.0 106.117 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -113.88 128.65 56.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 123.794 1.759 . . . . 25.0 107.147 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -140.86 141.23 32.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 120.27 3.433 . . . . 50.0 120.27 -165.022 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -98.7 132.94 43.7 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 112.728 -2.033 . . . . 25.0 107.973 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -108.59 151.91 25.48 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 122.343 1.068 . . . . 25.0 113.131 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -148.2 152.71 24.75 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 103.275 -3.93 . . . . 25.0 103.275 174.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.486 ' HD3' ' HB2' ' A' ' 42' ' ' TYR . 44.0 mtt85 -105.88 113.08 26.41 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 103.681 -2.711 . . . . 25.0 103.681 177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.7 p -88.5 146.11 25.37 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.9 p -80.96 -5.11 57.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.629 -0.714 . . . . 25.0 112.018 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.6 p -99.91 161.47 13.59 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 107.816 -1.179 . . . . 25.0 107.816 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.577 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.2 p -135.3 175.48 9.54 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.197 -0.91 . . . . 25.0 113.255 -174.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -57.84 -26.1 61.58 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 115.882 1.808 . . . . 25.0 115.882 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.299 0.8 OUTLIER -107.77 -14.82 14.71 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 116.054 1.872 . . . . 25.0 116.054 179.241 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.577 ' HB2' ' H ' ' A' ' 74' ' ' THR . 74.5 mm-40 -79.46 153.12 76.24 Favored Pre-proline 0 C--N 1.297 -1.698 0 CA-C-N 111.839 -2.437 . . . . 25.0 109.418 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -79.56 178.45 7.34 Favored 'Trans proline' 0 CA--C 1.534 0.525 0 C-N-CA 122.641 2.228 . . . . 25.0 115.295 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 59.49 45.48 13.46 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.987 1.847 . . . . 25.0 115.987 173.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.1 mp -65.66 -10.33 35.18 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.421 1.637 . . . . 25.0 115.421 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -41.94 12.77 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 122.217 1.008 . . . . 25.0 108.934 176.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -83.91 -34.29 24.55 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.653 0.983 . . . . 25.0 113.653 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.15 -57.26 28.41 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 120.581 -0.448 . . . . 25.0 111.535 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.11 -24.52 27.97 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 115.709 -2.394 . . . . 25.0 113.583 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -65.99 -29.56 69.96 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 118.205 0.457 . . . . 25.0 110.816 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -84.77 -32.55 23.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 25.0 111.326 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.59 -46.37 88.61 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 122.465 0.306 . . . . 25.0 111.269 -175.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -54.56 -57.67 17.77 Favored Pre-proline 0 N--CA 1.468 0.452 0 N-CA-C 113.185 0.809 . . . . 25.0 113.185 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.95 -19.63 39.82 Favored 'Trans proline' 0 CA--C 1.536 0.583 0 C-N-CA 114.447 -3.235 . . . . 25.0 114.501 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -74.95 -20.29 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.73 -0.606 . . . . 25.0 111.054 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.17 91.41 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.716 1.376 . . . . 25.0 114.716 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -32.44 22.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.148 -2.168 . . . . 25.0 105.148 170.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -76.61 133.45 39.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 104.185 -2.524 . . . . 25.0 104.185 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -123.61 109.78 14.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 118.328 0.513 . . . . 25.0 109.847 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.22 126.75 55.56 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -123.12 138.43 54.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.387 1.089 . . . . 25.0 111.098 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.415 ' SG ' HD13 ' A' ' 68' ' ' LEU . 82.1 m -124.57 155.86 38.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.273 -1.33 . . . . 25.0 111.314 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 t -129.78 120.98 25.93 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.565 -1.272 . . . . 25.0 107.565 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -115.66 128.86 56.23 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 106.678 -1.601 . . . . 25.0 106.678 179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -127.14 124.86 40.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.8 mt -117.2 118.51 58.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -90.24 127.29 36.1 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.021 -1.844 . . . . 25.0 106.021 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -106.25 134.3 49.59 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 105.552 -2.018 . . . . 25.0 105.552 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.401 ' H ' HG23 ' A' ' 104' ' ' VAL . 1.0 OUTLIER -102.67 103.36 31.99 Favored Pre-proline 0 N--CA 1.433 -1.279 1 N-CA-C 96.965 -5.198 . . . . 50.0 96.965 -169.751 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.24 -22.44 14.4 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.422 -8.585 . . . . 25.0 114.617 -168.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -62.81 -16.65 59.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 114.642 1.349 . . . . 25.0 114.642 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -123.46 0.08 8.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.691 0.282 . . . . 25.0 110.726 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.06 16.41 70.69 Favored Glycine 0 C--N 1.332 0.307 0 CA-C-O 122.073 0.818 . . . . 25.0 112.24 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 p -106.08 167.19 9.97 Favored 'General case' 0 CA--C 1.502 -0.883 0 C-N-CA 123.753 0.821 . . . . 25.0 109.428 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.6 ptt? -148.29 157.48 43.51 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 169.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.0 m -141.05 140.34 34.23 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.145 0.578 . . . . 25.0 109.898 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 115' ' ' SER . 32.2 tp -65.49 111.75 3.25 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.5 t -84.92 -31.87 23.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 25.0 112.52 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.5 145.73 28.04 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.877 -0.786 . . . . 25.0 108.877 179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.483 ' HB2' HD21 ' A' ' 112' ' ' LEU . 38.9 t -148.17 116.42 6.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 104.82 -2.289 . . . . 25.0 104.82 172.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -137.99 151.15 47.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 106.225 -1.769 . . . . 25.0 106.225 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.86 17.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -125.13 136.63 53.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -86.29 151.84 23.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.989 1.107 . . . . 25.0 113.989 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.791 0 N-CA-C 115.346 1.61 . . . . 25.0 115.346 173.378 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 110.191 -0.3 . . . . 25.0 110.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 p -158.01 166.17 17.1 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 104.115 -2.55 . . . . 25.0 104.115 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.75 171.72 17.26 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 117.068 -1.488 . . . . 25.0 110.617 176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.95 56.44 3.11 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.549 -0.357 . . . . 25.0 113.306 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -126.68 78.42 72.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 123.302 0.641 . . . . 25.0 109.692 -178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -75.01 153.82 42.01 Favored 'Trans proline' 0 C--O 1.241 0.652 0 C-N-CA 115.986 -2.209 . . . . 25.0 110.965 177.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.86 146.21 58.86 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 115.647 -2.435 . . . . 25.0 111.332 176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -128.83 109.69 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.536 -0.912 . . . . 25.0 108.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -88.2 90.59 8.45 Favored 'General case' 0 CA--C 1.484 -1.594 0 CA-C-O 123.667 1.698 . . . . 25.0 109.929 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.8 137.76 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.69 0 CA-C-N 110.613 -2.994 . . . . 50.0 106.513 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.62 -136.6 31.74 Favored Glycine 0 C--O 1.227 -0.31 0 N-CA-C 115.542 0.977 . . . . 25.0 115.542 174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.46 -159.72 33.98 Favored Glycine 0 CA--C 1.521 0.406 0 CA-C-N 115.159 -0.52 . . . . 25.0 113.001 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.23 152.73 75.72 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 CA-C-N 118.631 1.215 . . . . 25.0 114.666 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.7 ptm -135.89 142.54 44.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.88 -0.6 . . . . 25.0 110.23 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.39 140.1 31.79 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.72 165.69 11.83 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 106.698 -1.593 . . . . 25.0 106.698 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.9 p -83.19 154.13 24.4 Favored 'General case' 0 C--N 1.314 -0.978 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 3.3 m -69.37 -20.23 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 119.233 0.924 . . . . 50.0 108.884 -178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.03 -20.83 59.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.538 -1.21 . . . . 25.0 111.728 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -52.23 140.57 21.09 Favored 'General case' 0 CA--C 1.446 -3.054 0 N-CA-C 121.006 3.706 . . . . 25.0 121.006 177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -58.42 -39.97 81.21 Favored 'General case' 0 N--CA 1.413 -2.293 0 CA-C-N 112.708 -2.042 . . . . 25.0 110.353 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.83 -23.44 78.0 Favored Glycine 0 C--O 1.224 -0.525 0 CA-C-N 114.853 -1.067 . . . . 25.0 112.348 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 18' ' ' VAL . 68.8 t -87.7 -52.57 11.27 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.139 0 CA-C-N 117.986 0.893 . . . . 50.0 111.201 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -51.18 -45.35 61.77 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 119.054 0.843 . . . . 25.0 112.809 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -28.1 69.36 Favored 'General case' 0 C--O 1.199 -1.569 0 N-CA-C 112.784 0.661 . . . . 25.0 112.784 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.44 -35.03 21.51 Favored 'General case' 0 C--O 1.213 -0.837 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' HG ' HG12 ' A' ' 23' ' ' VAL . 15.5 mt -64.23 -57.58 9.06 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -66.83 -33.35 75.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 25.0 109.068 -173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.77 -48.68 75.97 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.294 -1.002 . . . . 25.0 108.294 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.41 76.3 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.281 1.1 t -72.09 -40.54 67.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 N-CA-C 105.531 -2.025 . . . . 50.0 105.531 -173.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.462 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.9 -37.11 94.37 Favored Glycine 0 C--O 1.211 -1.322 0 N-CA-C 108.832 -1.707 . . . . 25.0 108.832 -175.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 9.4 tt0 -85.32 -28.3 25.34 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-O 122.161 0.981 . . . . 25.0 112.104 -176.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -86.83 -62.92 1.4 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.551 1.685 . . . . 25.0 115.551 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-80 -83.89 -52.76 6.09 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.1 -2.318 . . . . 25.0 112.404 -171.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 5.4 tmtt? -70.53 -29.86 66.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.811 -0.631 . . . . 25.0 109.702 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -73.41 -32.0 64.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 -178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.9 t -77.63 155.1 31.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.256 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -91.99 54.87 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.467 0.651 . . . . 25.0 110.152 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.65 130.17 42.6 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.06 -0.719 . . . . 25.0 109.06 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.1 mtt -69.17 -18.77 63.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.639 -0.709 . . . . 25.0 110.833 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.87 163.05 17.48 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -88.18 112.67 23.0 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.57 -0.9 . . . . 25.0 108.57 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.5 m -119.28 144.8 46.59 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.618 -1.253 . . . . 25.0 107.618 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -151.78 166.84 30.13 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.09 -0.337 . . . . 25.0 110.09 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.29 102.33 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 103.184 -2.895 . . . . 25.0 103.184 171.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -74.63 -47.21 33.38 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.107 0.956 . . . . 25.0 111.556 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -144.54 121.86 11.61 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.999 -1.455 . . . . 25.0 109.252 -170.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.4 129.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 107.396 -1.335 . . . . 50.0 107.396 176.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.2 t -88.05 -43.78 15.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 107.762 -1.199 . . . . 50.0 107.762 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -145.54 144.0 30.28 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 116.297 -0.41 . . . . 25.0 110.807 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.14 114.72 7.21 Favored 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 106.379 -1.711 . . . . 25.0 106.379 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.35 165.32 32.36 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 115.747 -0.661 . . . . 25.0 109.701 -175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.74 139.29 53.25 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -99.51 129.71 45.7 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 104.818 -2.29 . . . . 25.0 104.818 178.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.8 mm -107.46 142.7 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 107.729 -1.212 . . . . 25.0 107.729 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.99 -158.54 31.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 106.815 -2.514 . . . . 25.0 106.815 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.47 -22.52 66.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 117.721 0.761 . . . . 25.0 109.393 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.53 158.34 19.03 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 104.746 -3.342 . . . . 25.0 104.746 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -122.56 136.13 60.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 107.378 -1.341 . . . . 50.0 107.378 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -131.84 126.4 34.18 Favored 'General case' 0 C--N 1.322 -0.604 0 O-C-N 121.797 -0.565 . . . . 25.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -91.76 111.21 22.64 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.211 -1.774 . . . . 25.0 106.211 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -98.78 114.3 26.79 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.28 133.76 55.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.75 136.8 53.57 Favored 'General case' 0 CA--C 1.479 -1.766 0 CA-C-O 123.285 1.517 . . . . 25.0 107.504 173.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.27 141.97 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.385 0 N-CA-C 120.403 3.483 . . . . 50.0 120.403 -166.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -91.52 130.1 37.4 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.055 -1.884 . . . . 25.0 108.777 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -105.85 150.38 25.64 Favored 'General case' 0 CA--C 1.502 -0.87 0 CA-C-O 122.309 1.052 . . . . 25.0 111.835 175.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.75 164.11 36.73 Favored Glycine 0 N--CA 1.44 -1.093 0 N-CA-C 104.673 -3.371 . . . . 25.0 104.673 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -101.7 136.41 41.58 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 104.668 -2.345 . . . . 25.0 104.668 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.5 p -107.3 152.55 23.98 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 114.337 1.236 . . . . 25.0 114.337 -172.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.8 p -83.56 4.13 29.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.992 -1.004 . . . . 25.0 113.356 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.2 p -129.06 164.82 22.43 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 122.364 1.078 . . . . 25.0 113.383 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.2 p -114.69 174.24 6.07 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-N 114.337 -1.301 . . . . 25.0 109.191 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -58.98 -22.29 60.14 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 115.689 1.737 . . . . 25.0 115.689 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.306 0.8 OUTLIER -107.28 -14.6 14.85 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 119.884 3.29 . . . . 25.0 119.884 -179.188 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -55.54 145.66 48.33 Favored Pre-proline 0 C--N 1.298 -1.631 0 CA-C-N 111.462 -2.608 . . . . 25.0 111.493 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -83.38 10.06 3.83 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.766 2.311 . . . . 25.0 116.233 -176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -124.06 31.37 5.83 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 115.37 1.618 . . . . 25.0 115.37 -173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -10.46 7.5 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 118.704 2.853 . . . . 25.0 118.704 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -87.81 -41.92 12.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.81 1.186 . . . . 25.0 109.418 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -77.71 -36.61 50.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.022 -0.99 . . . . 25.0 112.41 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.6 t -56.09 -64.53 2.23 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-O 119.177 -0.439 . . . . 25.0 111.646 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 65.0 Cg_endo -69.1 -26.78 30.34 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 114.54 -3.173 . . . . 25.0 113.738 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.73 -40.61 84.27 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 118.21 0.459 . . . . 25.0 111.193 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -84.81 -31.96 23.58 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 98.4 m-20 -68.82 -43.17 76.08 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 -176.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -56.43 -52.83 70.14 Favored Pre-proline 0 N--CA 1.472 0.627 0 N-CA-C 113.415 0.894 . . . . 25.0 113.415 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -71.84 -15.4 29.78 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 114.849 -2.968 . . . . 25.0 114.545 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -76.94 -15.32 59.7 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.84 -0.538 . . . . 25.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.32 90.86 0.23 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 25.0 112.013 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -74.35 -32.06 62.64 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.131 -1.062 . . . . 25.0 108.131 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -96.97 128.53 44.03 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 103.217 -2.883 . . . . 25.0 103.217 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -110.72 110.11 20.63 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.845 -1.539 . . . . 25.0 106.845 178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.61 137.88 31.98 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.375 -1.713 . . . . 25.0 106.375 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -123.14 138.61 54.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.879 -1.156 . . . . 25.0 107.879 177.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -129.17 154.92 46.28 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.15 -0.932 . . . . 25.0 110.565 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.415 ' HB3' HE22 ' A' ' 100' ' ' GLN . 14.6 m -129.94 130.41 45.05 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -125.79 128.04 47.07 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.897 -0.779 . . . . 25.0 108.897 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.415 HE22 ' HB3' ' A' ' 98' ' ' SER . 20.2 mp0 -123.39 111.28 16.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.875 -0.602 . . . . 25.0 109.528 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 64.3 mt -101.79 118.31 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.641 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -90.52 123.88 34.55 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.883 -1.895 . . . . 25.0 105.883 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.95 135.53 42.25 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.259 -2.497 . . . . 25.0 104.259 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.88 103.57 25.77 Favored Pre-proline 0 N--CA 1.433 -1.301 1 N-CA-C 96.2 -5.482 . . . . 50.0 96.2 -171.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.72 -22.36 13.66 Favored 'Trans proline' 0 N--CA 1.452 -0.92 1 C-N-CA 106.509 -8.528 . . . . 25.0 114.964 -167.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -59.19 -32.64 70.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.153 -0.931 . . . . 25.0 112.66 -176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -106.03 -2.39 22.82 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.682 0.253 . . . . 25.0 111.682 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.63 17.37 74.79 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-O 121.985 0.769 . . . . 25.0 111.835 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -104.62 167.19 9.89 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 123.937 0.895 . . . . 25.0 108.976 -177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.427 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 10.1 ptm -148.15 157.45 43.51 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -146.1 141.32 27.44 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 123.129 0.572 . . . . 25.0 110.25 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.0 115.75 6.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 175.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -89.4 -32.9 17.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.946 -0.57 . . . . 25.0 110.877 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -150.43 140.48 22.04 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 120.982 0.42 . . . . 25.0 110.328 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 30.6 p -141.83 122.98 14.68 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.815 -2.291 . . . . 25.0 104.815 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -137.34 152.1 49.34 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 106.324 -1.732 . . . . 25.0 106.324 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.86 170.74 17.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.846 0.355 . . . . 25.0 111.701 -176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.57 155.04 34.52 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -68.15 143.22 55.48 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.224 0.453 . . . . 25.0 112.224 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.998 -1.001 . . . . 25.0 109.318 -179.667 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 119.301 -0.381 . . . . 25.0 110.23 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -71.51 143.56 87.8 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -74.14 156.85 46.82 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 116.922 -1.585 . . . . 25.0 111.127 175.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.69 173.56 47.13 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.317 -0.468 . . . . 25.0 112.966 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -145.22 148.15 36.86 Favored Pre-proline 0 N--CA 1.473 0.692 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.0 162.47 41.53 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 117.392 -1.272 . . . . 25.0 110.356 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.03 110.36 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 117.584 -1.144 . . . . 25.0 113.716 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -148.33 137.82 22.13 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 106.192 -1.781 . . . . 25.0 106.192 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.2 mt -83.67 50.58 1.83 Allowed 'General case' 0 CA--C 1.458 -2.592 0 CA-C-O 122.041 0.924 . . . . 25.0 112.074 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -151.27 139.57 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.667 0 CA-C-N 113.941 -1.481 . . . . 50.0 109.133 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.65 24.73 52.67 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 118.139 2.015 . . . . 25.0 118.139 173.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.34 -121.84 5.68 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 118.515 1.157 . . . . 25.0 114.537 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 96.2 Cg_endo -71.34 141.32 38.74 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-N 119.731 1.766 . . . . 25.0 115.644 -176.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 ptt? -137.79 147.57 44.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 105.924 -1.88 . . . . 25.0 105.924 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.32 143.25 26.56 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.823 -1.177 . . . . 25.0 107.823 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.09 162.16 25.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.1 0.476 . . . . 25.0 110.151 178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 t -77.76 159.25 29.18 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.427 -1.694 . . . . 25.0 106.427 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' HA ' HG11 ' A' ' 23' ' ' VAL . 14.7 m -65.31 -19.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.659 0.266 . . . . 50.0 111.219 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -86.4 -7.24 58.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.767 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.306 1.1 mp0 -63.69 141.04 58.91 Favored 'General case' 0 CA--C 1.449 -2.934 0 N-CA-C 117.889 2.551 . . . . 25.0 117.889 170.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' H ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.3 -46.59 66.01 Favored 'General case' 0 N--CA 1.415 -2.178 0 CA-C-N 111.365 -2.652 . . . . 25.0 112.506 -174.412 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -23.14 77.75 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.445 -0.798 . . . . 25.0 112.418 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 18' ' ' VAL . 96.9 t -82.13 -53.19 12.43 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 118.155 0.977 . . . . 50.0 108.68 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -49.45 -48.27 47.7 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -30.06 70.7 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.68 -27.98 24.99 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.6 -59.57 4.13 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 108.104 -1.073 . . . . 25.0 108.104 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -65.66 -35.83 81.91 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.281 -0.636 . . . . 25.0 109.281 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -61.44 -48.65 80.2 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.176 -0.676 . . . . 25.0 109.176 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -47.38 79.28 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 114.129 1.159 . . . . 25.0 114.129 -178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.28 1.0 OUTLIER -71.85 -40.88 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -173.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.457 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.43 -36.69 93.72 Favored Glycine 0 N--CA 1.436 -1.336 0 N-CA-C 108.758 -1.737 . . . . 25.0 108.758 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 10.3 tt0 -85.61 -28.0 25.09 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.163 0.982 . . . . 25.0 111.895 -176.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -87.06 -63.08 1.36 Allowed 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 115.629 1.715 . . . . 25.0 115.629 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -84.17 -53.4 5.54 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 112.255 -2.248 . . . . 25.0 111.626 -170.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -69.66 -30.92 68.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.711 -0.677 . . . . 25.0 110.078 -178.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.69 -32.21 65.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -75.62 153.67 37.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.172 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.05 53.72 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.79 0.805 . . . . 25.0 108.909 178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -66.04 131.28 45.83 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.6 mmt -74.81 -12.77 60.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.283 0.564 . . . . 25.0 110.71 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -121.01 165.96 14.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -88.55 112.4 22.97 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.057 -0.657 . . . . 25.0 109.998 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.2 m -110.97 139.37 46.37 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 176.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -144.34 166.11 26.01 Favored 'General case' 0 CA--C 1.509 -0.613 0 N-CA-C 108.895 -0.78 . . . . 25.0 108.895 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -74.84 102.08 4.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 101.146 -3.649 . . . . 25.0 101.146 170.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.46 -46.47 82.97 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.709 0.766 . . . . 25.0 110.438 -175.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -157.53 130.5 7.6 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.882 -1.508 . . . . 25.0 108.858 -171.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.35 131.47 33.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 175.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 36.6 t -92.9 -44.07 13.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.919 -1.037 . . . . 50.0 108.314 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 mmt-85 -141.48 148.51 39.56 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 -177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.3 116.11 6.79 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.655 -1.239 . . . . 25.0 107.655 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.47 167.1 29.9 Favored 'General case' 0 CA--C 1.501 -0.913 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 -179.24 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.18 152.05 32.77 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.41 -0.813 . . . . 25.0 110.991 -177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.479 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.0 tt0 -98.67 129.59 45.16 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.1 mm -105.76 129.63 58.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.92 -165.05 37.41 Favored Glycine 0 C--O 1.227 -0.338 0 N-CA-C 109.513 -1.435 . . . . 25.0 109.513 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.3 -20.25 65.96 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 121.199 0.524 . . . . 25.0 110.407 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.76 136.57 9.75 Favored Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 105.036 -3.225 . . . . 25.0 105.036 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.48 134.78 57.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -137.31 123.33 20.27 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -95.53 134.14 38.73 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 61.6 m-85 -123.22 114.4 20.21 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 107.476 -1.305 . . . . 25.0 107.476 178.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.39 132.35 54.33 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 108.227 -1.027 . . . . 25.0 108.227 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -119.76 133.68 55.52 Favored 'General case' 0 CA--C 1.474 -1.953 0 CA-C-O 123.517 1.627 . . . . 25.0 106.959 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 HG22 ' A' ' 49' ' ' VAL 0.263 0.9 OUTLIER -142.53 138.98 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 110.014 -3.267 . . . . 50.0 118.851 -168.862 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.7 137.16 32.57 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 112.887 -1.961 . . . . 25.0 108.048 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.512 HD13 ' SG ' ' A' ' 97' ' ' CYS . 9.9 mp -113.72 155.69 25.14 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.208 1.004 . . . . 25.0 113.629 174.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.57 134.29 3.13 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 106.279 -2.728 . . . . 25.0 106.279 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -91.24 142.48 27.67 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 117.949 0.875 . . . . 25.0 111.366 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.5 p -115.98 153.4 31.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.51 -0.768 . . . . 25.0 112.127 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -93.01 0.07 57.3 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.428 -1.323 . . . . 25.0 107.428 174.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.6 m -100.09 155.8 17.53 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.722 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 9.1 p -141.43 178.7 7.25 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 -175.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -59.55 -24.01 63.35 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 115.77 1.767 . . . . 25.0 115.77 176.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.283 0.7 OUTLIER -106.9 -14.46 14.96 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 117.2 2.296 . . . . 25.0 117.2 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.722 ' HB2' ' H ' ' A' ' 74' ' ' THR . 9.2 mm100 -64.08 153.53 84.91 Favored Pre-proline 0 C--N 1.298 -1.65 0 CA-C-N 112.101 -2.318 . . . . 25.0 111.251 177.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.72 163.56 36.95 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 121.32 1.347 . . . . 25.0 114.136 -178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 56.12 56.02 6.27 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 116.649 2.092 . . . . 25.0 116.649 173.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.35 -10.75 26.49 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 114.269 1.211 . . . . 25.0 114.269 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.44 -41.95 17.51 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 122.983 1.373 . . . . 25.0 109.308 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -84.26 -36.37 22.73 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 114.356 -1.293 . . . . 25.0 113.551 -173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 14.7 t -60.02 -56.69 33.05 Favored Pre-proline 0 C--O 1.218 -0.581 0 C-N-CA 119.464 -0.894 . . . . 25.0 111.521 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.24 -27.13 41.4 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 115.2 -2.733 . . . . 25.0 114.554 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -57.37 -40.05 77.33 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -84.76 -19.6 32.36 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.674 0.991 . . . . 25.0 113.674 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.81 -55.88 28.75 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 118.58 0.627 . . . . 25.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -51.09 -55.91 24.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 114.537 1.31 . . . . 25.0 114.537 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.26 -21.03 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 114.068 -3.488 . . . . 25.0 114.898 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -70.05 -39.23 75.84 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.537 -0.727 . . . . 25.0 109.989 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -74.85 83.12 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 122.347 1.07 . . . . 25.0 113.656 -175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.5 mtmm -81.76 -12.45 58.57 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 105.338 -2.097 . . . . 25.0 105.338 168.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -82.95 73.3 10.0 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 106.859 -1.534 . . . . 25.0 106.859 176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -76.82 109.93 11.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.309 -0.997 . . . . 25.0 108.309 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.49 143.39 49.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.372 -1.344 . . . . 25.0 107.372 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -124.35 145.94 49.14 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 122.25 1.024 . . . . 25.0 112.282 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.512 ' SG ' HD13 ' A' ' 68' ' ' LEU . 72.0 m -127.58 154.86 44.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.093 -1.412 . . . . 25.0 109.576 174.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.2 m -129.9 131.01 45.89 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.893 -1.521 . . . . 25.0 106.893 176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.51 127.48 49.6 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.486 -0.931 . . . . 25.0 108.486 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -122.31 115.48 22.41 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 108.709 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 33.9 mt -113.65 116.93 54.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -90.27 123.8 34.36 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.161 -1.792 . . . . 25.0 106.161 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -103.05 135.22 45.13 Favored 'General case' 0 CA--C 1.491 -1.325 0 N-CA-C 104.894 -2.262 . . . . 25.0 104.894 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.41 103.27 30.26 Favored Pre-proline 0 N--CA 1.433 -1.32 1 N-CA-C 95.589 -5.708 . . . . 50.0 95.589 -171.234 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -75.24 -23.53 13.33 Favored 'Trans proline' 0 N--CA 1.454 -0.829 1 C-N-CA 106.543 -8.505 . . . . 25.0 113.484 -172.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -62.2 -19.93 63.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.671 -1.149 . . . . 25.0 112.954 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -119.16 1.1 11.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.235 -0.439 . . . . 25.0 111.718 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.94 27.93 72.84 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-O 122.4 1.0 . . . . 25.0 112.527 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.08 167.67 16.42 Favored 'General case' 0 CA--C 1.497 -1.076 0 C-N-CA 124.15 0.98 . . . . 25.0 108.82 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.439 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 23.0 ptt? -148.26 157.46 43.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 170.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.3 m -142.84 140.15 31.17 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.058 0.543 . . . . 25.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.7 tp -66.0 113.39 4.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -84.01 -32.71 24.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 25.0 111.013 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -152.98 140.34 19.6 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 120.886 0.374 . . . . 25.0 111.112 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.34 127.19 27.49 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 103.073 -2.936 . . . . 25.0 103.073 171.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -138.85 148.17 43.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.813 -2.292 . . . . 25.0 104.813 177.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.98 170.79 18.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.355 1.613 . . . . 25.0 115.355 -173.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -136.5 143.02 43.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.1 -2.185 . . . . 25.0 105.1 175.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -86.37 149.82 24.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.349 1.24 . . . . 25.0 114.349 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.825 0 N-CA-C 106.699 -1.593 . . . . 25.0 106.699 177.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 110.032 -0.358 . . . . 25.0 110.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -145.9 145.5 25.27 Favored Pre-proline 0 N--CA 1.465 0.319 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -78.28 -178.81 4.9 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 120.524 0.816 . . . . 25.0 113.076 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.37 -142.34 15.76 Favored Glycine 0 C--O 1.221 -0.701 0 N-CA-C 111.287 -0.725 . . . . 25.0 111.287 178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mttm 54.37 62.71 8.2 Favored Pre-proline 0 N--CA 1.478 0.952 0 N-CA-C 114.461 1.282 . . . . 25.0 114.461 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -66.6 153.78 76.75 Favored 'Trans proline' 0 C--O 1.248 1.004 0 C-N-CA 116.059 -2.161 . . . . 25.0 111.103 177.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.9 147.93 75.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 O-C-N 122.208 0.583 . . . . 25.0 112.417 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -162.77 156.13 19.98 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.584 0.23 . . . . 25.0 111.441 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.1 mt -134.56 67.01 1.52 Allowed 'General case' 0 CA--C 1.456 -2.638 0 CA-C-O 122.649 1.214 . . . . 25.0 108.499 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -148.8 137.51 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.171 0 CA-C-N 112.744 -2.026 . . . . 50.0 110.257 -176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.95 -176.39 42.42 Favored Glycine 0 C--O 1.226 -0.38 0 C-N-CA 121.399 -0.429 . . . . 25.0 113.805 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.11 -98.36 2.04 Favored Glycine 0 CA--C 1.517 0.196 0 N-CA-C 109.917 -1.273 . . . . 25.0 109.917 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.38 126.57 13.04 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 114.595 -3.137 . . . . 25.0 111.695 176.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -148.95 149.71 31.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.464 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 133.57 39.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.792 -2.67 . . . . 25.0 103.792 167.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.22 165.38 11.42 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 103.023 -2.954 . . . . 25.0 103.023 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.68 155.39 26.81 Favored 'General case' 0 C--N 1.311 -1.103 0 N-CA-C 104.684 -2.339 . . . . 25.0 104.684 179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.1 m -67.17 -16.43 21.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.586 0.232 . . . . 50.0 111.14 -178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.8 -11.77 43.95 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.644 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.3 0.5 OUTLIER -52.41 140.27 22.64 Favored 'General case' 0 CA--C 1.441 -3.219 0 N-CA-C 119.706 3.225 . . . . 25.0 119.706 170.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -57.52 -41.07 80.14 Favored 'General case' 0 N--CA 1.411 -2.396 0 CA-C-N 112.517 -2.128 . . . . 25.0 110.153 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.41 -23.4 75.09 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 114.603 -1.181 . . . . 25.0 112.739 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 18' ' ' VAL . 94.4 t -88.7 -53.14 10.08 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 CA-C-N 118.648 1.224 . . . . 50.0 111.223 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -50.7 -45.24 58.25 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 118.934 0.788 . . . . 25.0 112.82 -176.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.54 70.56 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 113.097 0.777 . . . . 25.0 113.097 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.53 -29.29 24.32 Favored 'General case' 0 C--O 1.208 -1.101 0 N-CA-C 107.714 -1.217 . . . . 25.0 107.714 -177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.51 -58.11 7.3 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 109.473 -0.565 . . . . 25.0 109.473 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -68.45 -32.99 73.39 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -174.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -65.13 -44.96 86.96 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 108.928 -0.768 . . . . 25.0 108.928 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.51 -42.27 78.11 Favored 'General case' 0 C--O 1.208 -1.099 0 N-CA-C 114.7 1.37 . . . . 25.0 114.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.259 1.0 OUTLIER -77.24 -36.62 24.47 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.189 0 N-CA-C 105.327 -2.101 . . . . 50.0 105.327 -175.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.498 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.49 -35.12 91.62 Favored Glycine 0 C--O 1.199 -2.082 0 N-CA-C 107.865 -2.094 . . . . 25.0 107.865 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 60.6 tt0 -85.46 -28.59 24.94 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 122.015 0.912 . . . . 25.0 111.849 -176.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.31 -63.11 1.35 Allowed 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.84 1.793 . . . . 25.0 115.84 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -84.56 -53.62 5.28 Favored 'General case' 0 C--O 1.215 -0.756 0 CA-C-N 112.222 -2.263 . . . . 25.0 111.654 -171.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.498 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.41 -31.37 70.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.824 -0.625 . . . . 25.0 110.135 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.07 -32.0 66.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.909 -1.145 . . . . 25.0 107.909 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.3 m -79.81 159.64 26.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.218 -0.901 . . . . 25.0 110.324 176.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.48 58.17 4.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.062 0.934 . . . . 25.0 109.679 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -65.5 128.95 37.98 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.268 -0.878 . . . . 25.0 109.204 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.3 mtm -77.38 -12.7 59.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 25.0 111.743 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -126.04 163.79 22.28 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.939 -0.764 . . . . 25.0 108.939 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.99 112.39 20.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 m -118.31 147.91 43.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 105.467 -2.049 . . . . 25.0 105.467 178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HE ' HG21 ' A' ' 71' ' ' THR . 8.4 ttm-85 -149.5 158.19 43.95 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.717 -0.393 . . . . 25.0 111.983 -175.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.96 102.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 102.735 -3.061 . . . . 25.0 102.735 167.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.91 -45.2 75.06 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 121.935 0.874 . . . . 25.0 111.073 -176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -160.43 136.44 8.47 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.975 -1.466 . . . . 25.0 108.185 -171.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.32 131.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.994 0.902 . . . . 50.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -86.33 -45.71 16.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.19 -0.914 . . . . 50.0 108.629 178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -143.75 139.91 29.67 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.46 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -140.37 119.32 12.64 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 105.176 -2.157 . . . . 25.0 105.176 175.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.42 168.12 26.51 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.799 -173.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.42 164.81 25.69 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.278 -1.328 . . . . 25.0 111.505 -173.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.21 137.44 47.58 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 101.935 -3.357 . . . . 25.0 101.935 171.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -127.56 137.15 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 -177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.8 -156.36 28.04 Favored Glycine 0 N--CA 1.452 -0.283 0 N-CA-C 108.136 -1.986 . . . . 25.0 108.136 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.01 66.98 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 117.44 0.62 . . . . 25.0 109.73 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -124.78 137.11 10.31 Favored Glycine 0 N--CA 1.449 -0.451 0 N-CA-C 105.352 -3.099 . . . . 25.0 105.352 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.9 t -117.13 134.66 60.02 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.836 0 N-CA-C 106.93 -1.508 . . . . 50.0 106.93 -176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -129.73 132.66 46.67 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.823 -0.548 . . . . 25.0 110.425 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -107.47 113.82 27.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 107.762 -1.199 . . . . 25.0 107.762 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.405 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 83.9 m-85 -102.64 117.06 33.85 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.653 -1.24 . . . . 25.0 107.653 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -119.62 110.74 17.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -104.87 130.14 53.07 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.135 -2.172 . . . . 25.0 105.135 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.624 HG23 HG22 ' A' ' 49' ' ' VAL 0.347 0.9 OUTLIER -140.65 134.57 33.7 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.3 0 N-CA-C 121.757 3.984 . . . . 50.0 121.757 -165.469 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -90.21 137.37 32.4 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 112.961 -1.927 . . . . 25.0 106.95 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.2 mp -114.37 156.76 23.86 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -169.75 172.03 43.54 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 104.538 -3.425 . . . . 25.0 104.538 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.5 mtt180 -109.7 142.49 40.82 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 104.331 -2.47 . . . . 25.0 104.331 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.478 HG21 ' HE ' ' A' ' 45' ' ' ARG . 46.8 p -99.89 142.77 30.93 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.765 -0.374 . . . . 25.0 111.401 -175.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -73.44 -25.22 60.41 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 62.2 m -120.14 169.51 10.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.808 0.813 . . . . 25.0 111.865 -178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.651 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -132.73 178.05 7.16 Favored 'General case' 0 C--O 1.211 -0.936 0 CA-C-N 115.007 -0.997 . . . . 25.0 110.834 -173.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -58.62 -25.17 62.39 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 116.213 1.931 . . . . 25.0 116.213 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.304 0.8 OUTLIER -108.41 -14.86 14.58 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 115.969 1.84 . . . . 25.0 115.969 179.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.651 ' HB2' ' H ' ' A' ' 74' ' ' THR . 88.4 mm-40 -81.75 153.59 70.34 Favored Pre-proline 0 C--N 1.298 -1.672 0 CA-C-N 111.505 -2.588 . . . . 25.0 107.859 176.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.55 173.91 13.69 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 121.663 1.575 . . . . 25.0 115.31 -173.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 57.67 49.81 11.83 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 115.405 1.632 . . . . 25.0 115.405 173.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -62.0 -14.15 32.6 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.1 -42.29 13.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 122.171 0.986 . . . . 25.0 109.604 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -82.99 -38.27 22.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 114.632 1.345 . . . . 25.0 114.632 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 59.0 m -62.73 -57.72 20.5 Favored Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 119.697 -0.801 . . . . 25.0 110.929 -178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.39 -23.51 44.15 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 114.367 -3.289 . . . . 25.0 114.201 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -63.25 -37.16 86.15 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 118.187 0.449 . . . . 25.0 110.064 173.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -84.25 -30.07 25.97 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.68 -44.45 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.421 0.288 . . . . 25.0 110.816 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -54.51 -58.52 13.73 Favored Pre-proline 0 N--CA 1.47 0.559 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.79 -12.34 32.64 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 114.962 -2.892 . . . . 25.0 115.327 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -71.15 -24.59 62.29 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.736 -0.602 . . . . 25.0 110.593 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.58 89.73 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.374 1.083 . . . . 25.0 112.597 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -74.02 -30.29 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.259 -1.756 . . . . 25.0 106.259 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -67.26 130.57 43.5 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -100.48 119.96 39.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.28 120.68 9.65 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 123.259 0.349 . . . . 25.0 110.924 -173.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -124.28 144.6 49.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.78 1.77 . . . . 25.0 115.78 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 68' ' ' LEU . 97.4 m -113.97 160.04 19.26 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 125.597 1.559 . . . . 25.0 108.747 170.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HG22 ' A' ' 116' ' ' THR . 65.8 m -129.84 120.54 25.13 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -114.24 132.12 56.25 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -125.24 109.03 12.33 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 80.1 mt -97.97 119.18 45.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.005 -1.48 . . . . 25.0 107.005 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -90.39 125.22 35.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 105.42 -2.067 . . . . 25.0 105.42 177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.33 135.26 44.26 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 104.44 -2.43 . . . . 25.0 104.44 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -103.79 102.8 33.2 Favored Pre-proline 0 CA--C 1.491 -1.298 1 N-CA-C 97.055 -5.165 . . . . 50.0 97.055 -171.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.95 -24.98 12.4 Favored 'Trans proline' 0 N--CA 1.45 -1.035 1 C-N-CA 106.592 -8.472 . . . . 25.0 114.02 -172.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.8 t90 -59.29 -22.69 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.747 -1.115 . . . . 25.0 112.913 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -119.59 2.85 11.21 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.98 29.02 74.28 Favored Glycine 0 N--CA 1.465 0.599 0 CA-C-O 122.586 1.103 . . . . 25.0 112.21 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.01 167.38 15.4 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.147 -1.026 . . . . 25.0 108.275 -174.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.445 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 21.4 ptt? -148.23 157.57 43.57 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 106.644 -1.613 . . . . 25.0 106.644 170.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.5 m -149.7 143.84 25.72 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 123.079 0.551 . . . . 25.0 110.207 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.9 tp -65.44 115.63 5.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.743 0.782 . . . . 25.0 109.79 175.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -92.22 -29.3 16.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.398 -0.819 . . . . 25.0 111.457 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.92 145.11 28.49 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 109.157 -0.683 . . . . 25.0 109.157 177.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.95 116.47 6.19 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 98' ' ' SER . 0.6 OUTLIER -125.26 153.19 43.58 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 101.189 -3.634 . . . . 25.0 101.189 177.055 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 1.0 OUTLIER -148.04 -179.57 7.01 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.886 0.85 . . . . 25.0 112.732 -177.343 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -106.77 160.28 15.6 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 113.063 -1.88 . . . . 25.0 111.193 -176.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -63.66 149.6 46.17 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.164 -0.925 . . . . 25.0 110.284 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.018 -0.991 . . . . 25.0 112.185 -178.591 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 118.996 -0.526 . . . . 25.0 109.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -70.58 131.34 88.09 Favored Pre-proline 0 C--N 1.327 -0.377 0 N-CA-C 102.671 -3.085 . . . . 25.0 102.671 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.12 141.7 36.67 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 115.515 -2.523 . . . . 25.0 115.251 -174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.23 164.86 27.4 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 109.007 -1.637 . . . . 25.0 109.007 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.26 146.88 10.84 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.248 1.024 . . . . 25.0 112.906 -179.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.15 172.47 16.02 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 121.918 1.745 . . . . 25.0 111.395 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -64.83 153.29 78.68 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 116.481 -1.879 . . . . 25.0 111.866 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -66.73 -20.68 66.02 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 114.715 1.376 . . . . 25.0 114.715 -175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.8 mt 43.8 52.65 6.41 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 124.291 1.996 . . . . 25.0 114.62 177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.24 131.29 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.245 0 CA-C-N 111.543 -2.571 . . . . 50.0 107.487 174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.98 -18.07 9.82 Favored Glycine 0 C--O 1.225 -0.455 0 CA-C-N 115.878 -0.601 . . . . 25.0 112.365 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.91 -163.53 14.97 Favored Glycine 0 N--CA 1.454 -0.156 0 C-N-CA 120.778 -0.725 . . . . 25.0 111.475 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -63.89 151.14 86.54 Favored 'Trans proline' 0 C--N 1.346 0.4 0 CA-C-N 118.952 1.376 . . . . 25.0 110.718 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -132.56 138.67 47.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.22 148.78 29.34 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 102.943 -2.984 . . . . 25.0 102.943 171.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.68 159.31 31.12 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 104.562 -2.385 . . . . 25.0 104.562 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 p -82.67 160.17 22.48 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 m -68.9 -13.29 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.603 0.716 . . . . 50.0 110.489 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -86.54 -22.7 26.19 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.879 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.347 1.9 mp0 -55.01 138.49 43.74 Favored 'General case' 0 CA--C 1.457 -2.633 1 N-CA-C 121.915 4.043 . . . . 25.0 121.915 172.336 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.16 -41.74 84.46 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 112.038 -2.346 . . . . 25.0 110.818 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.14 75.47 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 114.687 -1.142 . . . . 25.0 112.472 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.2 t -88.28 -47.29 15.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.278 0 CA-C-N 118.197 0.999 . . . . 50.0 109.462 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -53.93 -43.22 69.61 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 118.855 0.752 . . . . 25.0 112.593 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -26.22 68.55 Favored 'General case' 0 C--O 1.202 -1.442 0 C-N-CA 119.848 -0.741 . . . . 25.0 112.652 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.38 -34.46 21.75 Favored 'General case' 0 C--O 1.211 -0.959 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 31' ' ' VAL . 28.2 mt -58.53 -62.66 1.69 Allowed 'General case' 0 CA--C 1.489 -1.391 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -68.62 -31.12 70.05 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 123.851 0.719 . . . . 25.0 109.796 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -65.64 -48.48 72.05 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -45.3 84.59 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 113.985 1.106 . . . . 25.0 113.985 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 27' ' ' LEU 0.268 1.2 t -76.68 -37.0 28.2 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.225 0 N-CA-C 105.551 -2.018 . . . . 50.0 105.551 -174.318 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.483 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.65 -36.74 93.69 Favored Glycine 0 C--O 1.207 -1.555 0 N-CA-C 107.675 -2.17 . . . . 25.0 107.675 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 3.5 tt0 -85.25 -28.26 25.49 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.407 1.099 . . . . 25.0 111.95 -176.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -86.77 -62.91 1.4 Allowed 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 116.166 1.913 . . . . 25.0 116.166 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -84.26 -52.07 6.52 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 112.848 -1.978 . . . . 25.0 112.199 -172.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.8 -30.89 67.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.651 . . . . 25.0 109.97 -178.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.43 -32.08 66.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.682 -1.229 . . . . 25.0 107.682 -178.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 t -78.36 152.9 32.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.437 -0.802 . . . . 25.0 110.43 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -90.03 56.72 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.687 0.756 . . . . 25.0 108.999 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -65.27 129.48 39.89 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.41 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.9 mmm -69.54 -15.69 63.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.374 -0.83 . . . . 25.0 112.193 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -126.45 163.24 23.76 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -79.7 112.56 17.09 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 48.2 m -121.8 145.24 48.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.093 -1.818 . . . . 25.0 106.093 177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -156.29 166.62 32.9 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -72.98 102.43 3.48 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.365 -2.457 . . . . 25.0 104.365 170.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.28 -48.35 67.96 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-O 121.92 0.867 . . . . 25.0 111.851 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -150.83 130.7 13.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 114.022 -1.445 . . . . 25.0 108.894 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.85 129.49 37.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.333 -0.988 . . . . 50.0 108.333 176.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.92 -41.6 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.467 -0.788 . . . . 50.0 109.032 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -144.9 142.78 30.17 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 109.183 -0.673 . . . . 25.0 109.183 -177.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -145.12 112.46 6.13 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.697 -0.853 . . . . 25.0 108.697 177.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.03 168.78 24.14 Favored 'General case' 0 CA--C 1.484 -1.584 0 CA-C-O 121.785 0.803 . . . . 25.0 113.022 -176.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.21 134.68 40.33 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-N 114.046 -1.434 . . . . 25.0 111.637 -178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -98.57 122.06 41.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 105.569 -2.011 . . . . 25.0 105.569 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.04 141.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.56 -167.09 39.93 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 107.147 -2.381 . . . . 25.0 107.147 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -24.56 67.69 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.83 0.815 . . . . 25.0 109.49 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.95 138.4 11.7 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 103.458 -3.857 . . . . 25.0 103.458 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.9 t -110.19 132.31 58.86 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 107.49 -1.3 . . . . 50.0 107.49 -176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -126.65 126.23 43.22 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.861 -0.524 . . . . 25.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -93.25 130.73 38.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 104.035 -2.58 . . . . 25.0 104.035 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.441 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 86.0 m-85 -118.84 119.28 33.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.715 -1.587 . . . . 25.0 106.715 177.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -129.4 116.09 18.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 123.551 0.532 . . . . 25.0 109.664 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -112.24 140.52 46.87 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-O 123.435 1.588 . . . . 25.0 108.681 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.14 141.05 19.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 120.267 3.432 . . . . 50.0 120.267 -166.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -90.7 131.65 36.26 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.494 -1.684 . . . . 25.0 109.365 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.9 mt -98.29 157.59 16.09 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 122.348 1.07 . . . . 25.0 110.927 177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -179.51 177.47 48.26 Favored Glycine 0 N--CA 1.439 -1.119 0 N-CA-C 103.373 -3.891 . . . . 25.0 103.373 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -118.55 139.73 51.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -103.07 145.63 29.6 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 -173.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.0 p -74.04 -23.82 59.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.253 -0.885 . . . . 25.0 111.379 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.88 167.33 10.59 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 113.245 0.832 . . . . 25.0 113.245 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 p -93.77 164.86 12.96 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.133 1.444 . . . . 25.0 110.964 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -60.2 -26.62 66.51 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 112.398 -2.183 . . . . 25.0 115.193 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.294 0.7 OUTLIER -103.17 -14.55 16.33 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 118.732 2.864 . . . . 25.0 118.732 -178.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -59.7 151.92 60.11 Favored Pre-proline 0 C--N 1.298 -1.639 0 CA-C-N 112.995 -1.911 . . . . 25.0 115.94 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.58 17.46 0.94 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.719 2.279 . . . . 25.0 112.807 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -108.32 8.54 27.74 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -173.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.13 -10.6 2.87 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 118.599 2.815 . . . . 25.0 118.599 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.6 -42.32 10.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 120.27 1.395 . . . . 25.0 112.07 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -87.92 -25.26 23.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.176 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 12.5 t -62.84 -59.69 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.138 -0.483 . . . . 25.0 110.386 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -70.81 -23.34 26.11 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 114.254 -3.364 . . . . 25.0 113.741 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.89 -36.49 77.07 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.426 0.557 . . . . 25.0 110.444 174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -83.55 -42.67 16.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.596 0.712 . . . . 25.0 111.481 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.28 -41.13 77.24 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -172.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.39 -55.79 36.08 Favored Pre-proline 0 C--O 1.239 0.527 0 CA-C-N 119.327 0.967 . . . . 25.0 111.395 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.07 -19.8 34.18 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 114.022 -3.519 . . . . 25.0 114.858 177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -71.46 -33.04 68.98 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.096 -0.377 . . . . 25.0 111.406 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.52 105.17 0.9 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.686 0.755 . . . . 25.0 112.506 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -81.14 -32.34 33.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -76.66 132.02 39.16 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 104.08 -2.563 . . . . 25.0 104.08 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -126.73 133.1 50.95 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.823 -2.288 . . . . 25.0 104.823 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -142.57 140.29 31.67 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 105.61 -1.996 . . . . 25.0 105.61 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -124.26 139.65 53.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.645 0.736 . . . . 25.0 112.245 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 74.2 m -112.79 159.24 19.18 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.993 -1.003 . . . . 25.0 111.171 177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -129.68 115.31 17.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.151 -0.931 . . . . 25.0 108.721 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -109.04 134.13 52.07 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -130.38 113.66 14.61 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.057 -0.72 . . . . 25.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.7 mt -101.66 120.36 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 106.463 -1.68 . . . . 25.0 106.463 178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -90.21 126.38 35.8 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 105.209 -2.145 . . . . 25.0 105.209 177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.2 135.01 46.47 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 105.012 -2.218 . . . . 25.0 105.012 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -100.55 103.57 24.82 Favored Pre-proline 0 CA--C 1.491 -1.306 1 N-CA-C 97.314 -5.069 . . . . 50.0 97.314 -171.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.44 -20.08 16.35 Favored 'Trans proline' 0 N--CA 1.451 -1.007 1 C-N-CA 106.488 -8.542 . . . . 25.0 115.016 -169.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 14.7 t-105 -57.89 -28.34 64.11 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -115.38 -2.04 12.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.42 16.19 75.47 Favored Glycine 0 CA--C 1.519 0.285 0 N-CA-C 111.461 -0.656 . . . . 25.0 111.461 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -100.34 167.29 10.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.415 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 24.8 ptp -148.15 157.4 43.48 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 170.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -144.01 141.37 30.1 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.455 0.702 . . . . 25.0 110.102 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.9 tp -65.67 115.74 6.16 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 107.946 -1.131 . . . . 25.0 107.946 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -90.94 -31.11 16.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.449 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -147.67 142.28 26.58 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.5 t -144.97 114.45 7.15 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 103.699 -2.704 . . . . 25.0 103.699 172.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -133.67 146.65 51.05 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 105.434 -2.061 . . . . 25.0 105.434 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 4.6 m -148.08 171.46 15.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 25.0 111.739 -174.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -123.65 151.64 42.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -71.93 140.64 49.31 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.276 1.214 . . . . 25.0 114.276 -175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.566 -0.73 . . . . 25.0 109.591 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.483 1.199 0 CA-C-O 120.5 0.19 . . . . 25.0 110.656 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -145.17 166.74 16.67 Favored Pre-proline 0 C--O 1.239 0.513 0 N-CA-C 101.863 -3.384 . . . . 25.0 101.863 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -67.4 147.02 76.84 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 114.612 -3.125 . . . . 25.0 114.035 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.67 142.63 30.22 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.078 -0.964 . . . . 25.0 112.709 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -165.27 161.0 14.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 103.966 -2.605 . . . . 25.0 103.966 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -66.73 154.8 73.21 Favored 'Trans proline' 0 C--O 1.238 0.515 0 C-N-CA 116.049 -2.167 . . . . 25.0 111.846 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.55 146.75 62.46 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 117.053 -1.498 . . . . 25.0 112.408 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.5 ttp180 -117.99 106.06 12.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.004 -0.544 . . . . 25.0 109.844 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.64 107.49 11.55 Favored 'General case' 0 CA--C 1.471 -2.081 0 CA-C-O 123.069 1.414 . . . . 25.0 110.762 176.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -140.49 151.28 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.702 0 CA-C-N 111.636 -2.529 . . . . 50.0 105.614 -178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.19 166.1 40.1 Favored Glycine 0 N--CA 1.452 -0.266 0 N-CA-C 108.623 -1.791 . . . . 25.0 108.623 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.09 -172.43 41.83 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 120.865 -0.683 . . . . 25.0 112.428 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -79.28 145.42 18.99 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 CA-C-N 118.309 1.054 . . . . 25.0 114.673 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.2 ptp -148.85 137.11 20.98 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.339 -0.986 . . . . 25.0 108.339 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.76 141.19 31.59 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.31 153.15 30.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 105.182 -2.155 . . . . 25.0 105.182 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -75.28 156.15 35.94 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -175.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.58 -17.46 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -72.14 -27.79 62.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.053 -0.976 . . . . 25.0 110.959 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.283 1.0 OUTLIER -58.74 133.26 55.79 Favored 'General case' 0 CA--C 1.429 -3.675 0 N-CA-C 120.528 3.529 . . . . 25.0 120.528 176.615 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.15 -27.11 67.77 Favored 'General case' 0 N--CA 1.405 -2.694 0 CA-C-N 113.451 -1.704 . . . . 25.0 112.319 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.1 -25.12 74.58 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.152 -0.779 . . . . 25.0 111.152 174.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -88.44 -48.15 15.05 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.255 0 CA-C-N 117.355 0.577 . . . . 50.0 110.064 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -53.19 -42.28 66.09 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.923 0.489 . . . . 25.0 111.982 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -26.97 68.31 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 112.867 0.692 . . . . 25.0 112.867 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.48 -33.03 21.94 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.5 mt -57.09 -62.9 1.43 Allowed 'General case' 0 C--O 1.201 -1.475 0 N-CA-C 108.135 -1.061 . . . . 25.0 108.135 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -68.58 -33.71 74.54 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.505 0.503 . . . . 25.0 111.124 -173.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.49 -48.83 75.99 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.23 86.03 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.234 1.198 . . . . 25.0 114.234 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.2 t -76.34 -36.55 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 105.891 -1.892 . . . . 50.0 105.891 -174.254 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.49 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.61 -35.75 92.45 Favored Glycine 0 N--CA 1.436 -1.337 0 N-CA-C 107.962 -2.055 . . . . 25.0 107.962 -177.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 76.9 tt0 -85.22 -28.67 25.25 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.232 1.015 . . . . 25.0 111.924 -176.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -86.73 -62.91 1.4 Allowed 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 115.839 1.792 . . . . 25.0 115.839 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -84.3 -52.55 6.13 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 112.269 -2.241 . . . . 25.0 112.182 -171.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -70.42 -30.71 67.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.412 -0.813 . . . . 25.0 109.992 -178.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.05 -32.18 66.85 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.4 t -75.02 155.97 36.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.367 -0.833 . . . . 25.0 109.945 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.55 51.96 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.436 0.636 . . . . 25.0 109.953 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -66.13 131.14 45.5 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.465 0.65 . . . . 25.0 109.598 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.6 mmt -70.07 -19.58 63.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.577 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -112.43 163.64 14.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.1 m -102.17 143.06 32.45 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.904 -1.887 . . . . 25.0 105.904 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 ttm180 -144.27 155.0 43.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.292 -173.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.83 102.35 5.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 101.394 -3.558 . . . . 25.0 101.394 168.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 mp -67.78 -45.62 74.34 Favored 'General case' 0 CA--C 1.492 -1.273 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -151.31 129.41 11.85 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.2 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -82.23 126.46 39.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 107.528 -1.286 . . . . 50.0 107.528 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 23.2 t -81.45 -47.37 19.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.2 mmt-85 -146.97 145.09 29.64 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.24 115.08 9.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.09 167.98 26.74 Favored 'General case' 0 CA--C 1.487 -1.443 0 CA-C-O 121.972 0.891 . . . . 25.0 112.58 -171.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.09 153.88 50.44 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 113.84 -1.527 . . . . 25.0 109.174 -175.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -125.71 119.0 26.81 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 105.365 -2.087 . . . . 25.0 105.365 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.1 mt -105.71 132.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.99 0.424 . . . . 25.0 110.338 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.56 -154.91 9.52 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 106.808 -2.517 . . . . 25.0 106.808 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.72 -30.17 70.59 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.877 0.839 . . . . 25.0 109.072 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.68 155.54 16.1 Favored Glycine 0 N--CA 1.446 -0.646 1 N-CA-C 102.773 -4.131 . . . . 25.0 102.773 173.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.9 t -120.87 134.33 64.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -127.34 129.36 47.48 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.093 -0.379 . . . . 25.0 110.857 -176.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -104.72 135.05 46.82 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.428 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 29.1 m-85 -117.82 124.76 49.16 Favored 'General case' 0 C--O 1.24 0.6 0 N-CA-C 105.628 -1.99 . . . . 25.0 105.628 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -128.32 116.03 19.19 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.358 -1.349 . . . . 25.0 107.358 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -114.19 135.28 54.22 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 123.244 1.497 . . . . 25.0 109.14 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -147.3 141.7 19.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 N-CA-C 121.264 3.801 . . . . 50.0 121.264 -165.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -90.36 130.87 36.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 113.367 -1.742 . . . . 25.0 108.931 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.33 152.29 21.73 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 122.356 1.074 . . . . 25.0 112.085 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.76 169.59 42.56 Favored Glycine 0 N--CA 1.438 -1.232 0 N-CA-C 104.388 -3.485 . . . . 25.0 104.388 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -112.98 139.31 48.74 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -112.74 148.68 34.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.011 0.434 . . . . 25.0 111.197 -174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -71.98 -29.24 64.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.005 -0.543 . . . . 25.0 111.858 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.77 165.68 11.08 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 114.167 1.173 . . . . 25.0 114.167 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.9 p -105.54 174.83 5.71 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.937 -1.483 . . . . 25.0 108.119 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -60.32 -24.4 64.97 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.288 0.8 OUTLIER -104.79 -14.36 15.56 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 118.661 2.837 . . . . 25.0 118.661 -179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -56.44 147.5 48.81 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 112.508 -2.133 . . . . 25.0 113.04 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.6 28.38 0.41 Allowed 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.692 2.928 . . . . 25.0 113.808 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -129.82 9.99 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 115.432 1.642 . . . . 25.0 115.432 -172.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.9 mp -54.82 -14.79 1.54 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 120.893 3.664 . . . . 25.0 120.893 -172.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.52 -42.27 10.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 120.806 1.639 . . . . 25.0 111.188 175.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -84.4 -30.59 25.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.199 -0.909 . . . . 25.0 112.318 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -59.42 -60.71 9.7 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.536 -179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -70.54 -24.17 26.41 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 114.678 -3.082 . . . . 25.0 113.972 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.61 -37.19 77.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.374 0.534 . . . . 25.0 110.494 175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -83.63 -43.14 15.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.348 0.594 . . . . 25.0 111.633 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.58 -44.45 74.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.06 1.504 . . . . 25.0 115.06 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -57.57 -50.94 85.31 Favored Pre-proline 0 C--O 1.24 0.571 0 CA-C-N 119.053 0.842 . . . . 25.0 112.601 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -72.08 -18.15 27.62 Favored 'Trans proline' 0 CA--C 1.541 0.852 1 C-N-CA 113.13 -4.113 . . . . 25.0 114.67 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -68.58 -28.19 66.72 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.608 -0.682 . . . . 25.0 110.197 177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.57 80.36 1.08 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.929 0.871 . . . . 25.0 109.444 176.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -33.52 65.99 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.391 -1.337 . . . . 25.0 107.391 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.4 ptp85 -89.3 133.87 34.3 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 101.482 -3.525 . . . . 25.0 101.482 172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.02 142.21 51.6 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.489 -1.3 . . . . 25.0 107.489 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -122.14 143.22 49.68 Favored 'General case' 0 CA--C 1.5 -0.968 0 N-CA-C 106.796 -1.557 . . . . 25.0 106.796 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -124.25 134.22 53.3 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.654 0.74 . . . . 25.0 109.114 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 73.5 m -120.45 158.04 28.07 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.523 -1.217 . . . . 25.0 110.058 -178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.7 m -129.78 131.03 46.09 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 107.587 -1.264 . . . . 25.0 107.587 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -118.96 132.44 56.08 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -123.27 112.56 17.78 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.318 -0.855 . . . . 25.0 108.8 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.69 118.12 54.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -90.3 127.86 36.27 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 105.275 -2.12 . . . . 25.0 105.275 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -105.63 134.44 48.74 Favored 'General case' 0 N--CA 1.437 -1.106 0 N-CA-C 105.578 -2.008 . . . . 25.0 105.578 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.64 103.05 29.97 Favored Pre-proline 0 C--N 1.309 -1.155 1 N-CA-C 96.547 -5.353 . . . . 50.0 96.547 -171.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.21 -23.05 13.83 Favored 'Trans proline' 0 N--CA 1.452 -0.913 1 C-N-CA 106.711 -8.393 . . . . 25.0 114.743 -168.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -62.63 -21.22 65.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.75 -1.114 . . . . 25.0 113.942 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -115.07 -4.47 12.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.503 -0.317 . . . . 25.0 110.693 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.52 75.63 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 111.472 -0.651 . . . . 25.0 111.472 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p -105.34 167.08 9.97 Favored 'General case' 0 CA--C 1.5 -0.963 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.448 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 19.9 ptp -148.13 157.69 43.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.81 -1.181 . . . . 25.0 107.81 169.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.7 m -142.78 140.74 31.49 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.105 0.562 . . . . 25.0 110.21 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 tp -66.2 112.79 4.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 174.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 t -84.41 -32.05 24.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.024 -0.534 . . . . 25.0 111.359 -178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -154.36 142.85 20.67 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.188 0.518 . . . . 25.0 111.429 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.1 p -133.36 127.45 33.53 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 101.891 -3.374 . . . . 25.0 101.891 170.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -138.0 145.09 41.47 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 104.123 -2.547 . . . . 25.0 104.123 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.04 172.89 13.52 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.147 1.165 . . . . 25.0 114.147 -173.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -129.52 154.0 47.45 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 105.715 -1.958 . . . . 25.0 105.715 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -86.38 145.84 26.71 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 117.461 -1.257 . . . . 25.0 108.282 178.146 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.484 1.241 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 p -161.84 169.19 9.88 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 -175.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -67.22 165.21 27.47 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 116.717 -1.722 . . . . 25.0 112.415 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.08 112.93 4.26 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 114.792 0.677 . . . . 25.0 114.792 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -131.57 68.47 81.01 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 121.822 0.82 . . . . 25.0 110.056 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.59 156.76 64.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 120.46 0.774 . . . . 25.0 112.272 -177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.18 152.3 72.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 117.052 -1.498 . . . . 25.0 112.242 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -67.85 137.58 55.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.202 -1.036 . . . . 25.0 108.202 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -101.04 60.82 0.94 Allowed 'General case' 0 CA--C 1.452 -2.825 0 CA-C-O 123.301 1.524 . . . . 25.0 110.043 177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -148.11 123.22 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.287 0 CA-C-N 111.631 -2.531 . . . . 50.0 107.657 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 73.73 -149.41 41.52 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 109.924 -1.27 . . . . 25.0 109.924 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.29 -74.98 0.16 Allowed Glycine 0 CA--C 1.52 0.37 0 N-CA-C 114.379 0.512 . . . . 25.0 114.379 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 83.7 Cg_endo -73.68 145.56 37.19 Favored 'Trans proline' 0 C--N 1.343 0.268 0 CA-C-N 119.197 1.498 . . . . 25.0 115.676 -177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.5 ptm -148.91 146.83 28.07 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 174.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.5 149.63 23.54 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -129.04 158.59 38.46 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 105.823 -1.917 . . . . 25.0 105.823 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -78.7 161.88 26.58 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.3 m -67.61 -15.82 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.251 0.548 . . . . 50.0 111.0 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.7 -25.91 37.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.357 -0.838 . . . . 25.0 110.867 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.325 2.5 mp0 -50.3 135.99 20.76 Favored 'General case' 0 CA--C 1.452 -2.82 1 N-CA-C 122.514 4.264 . . . . 25.0 122.514 173.157 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -59.88 -35.11 74.14 Favored 'General case' 0 N--CA 1.415 -2.225 0 CA-C-N 112.491 -2.141 . . . . 25.0 110.607 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.44 -24.3 76.87 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.25 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.2 t -88.42 -47.91 15.18 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 CA-C-N 118.083 0.942 . . . . 50.0 110.697 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -54.15 -38.58 65.65 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -28.43 69.61 Favored 'General case' 0 C--O 1.199 -1.557 0 C-N-CA 119.382 -0.927 . . . . 25.0 111.952 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.71 -36.75 20.03 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 108.077 -1.083 . . . . 25.0 108.077 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.4 mt -55.97 -62.94 1.36 Allowed 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -69.5 -31.96 70.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 123.922 0.764 . . . . 25.0 110.274 -170.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -66.85 -47.75 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.915 -0.772 . . . . 25.0 108.915 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.25 -44.81 88.52 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG23 ' H ' ' A' ' 31' ' ' VAL 0.292 1.0 OUTLIER -73.2 -39.31 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 105.017 -2.216 . . . . 50.0 105.017 -173.814 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.463 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -62.2 -37.4 94.46 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 108.6 -1.8 . . . . 25.0 108.6 -175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 82.9 tt0 -85.41 -29.43 24.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 122.131 0.967 . . . . 25.0 112.05 -176.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -87.09 -62.86 1.41 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 123.791 1.757 . . . . 25.0 115.623 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -84.33 -51.74 6.74 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 112.206 -2.27 . . . . 25.0 112.106 -171.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -71.41 -30.66 66.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.059 -0.518 . . . . 25.0 109.714 -178.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.78 -32.14 67.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.888 -1.153 . . . . 25.0 107.888 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -79.47 155.15 28.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.439 -0.8 . . . . 25.0 110.846 177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -101.32 51.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.436 0.636 . . . . 25.0 110.284 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.21 126.6 29.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.33 -0.618 . . . . 25.0 109.33 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.66 -36.91 83.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.03 -0.532 . . . . 25.0 110.637 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -99.36 148.92 23.68 Favored 'General case' 0 CA--C 1.502 -0.881 0 N-CA-C 102.989 -2.967 . . . . 25.0 102.989 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.56 112.5 23.1 Favored 'General case' 0 C--N 1.313 -1.003 0 C-N-CA 118.139 -1.424 . . . . 25.0 113.085 -171.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -95.58 147.66 23.34 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 104.62 -2.363 . . . . 25.0 104.62 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -158.9 165.62 33.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 107.123 -1.436 . . . . 25.0 107.123 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -75.35 102.59 5.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 103.186 -2.894 . . . . 25.0 103.186 171.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -77.07 -43.53 34.02 Favored 'General case' 0 CA--C 1.496 -1.133 0 CA-C-O 121.829 0.824 . . . . 25.0 111.737 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -151.09 125.58 9.52 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.481 -1.236 . . . . 25.0 108.533 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -80.12 131.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.808 -0.812 . . . . 50.0 108.808 177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.2 t -90.05 -43.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.611 -0.722 . . . . 50.0 109.055 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.73 139.99 33.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.02 109.98 6.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.57 168.81 24.34 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-O 121.251 0.548 . . . . 25.0 112.476 -177.566 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.19 151.71 35.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.306 -0.861 . . . . 25.0 111.518 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.2 tt0 -99.08 129.55 45.35 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.5 mm -101.2 138.3 25.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 106.359 -1.719 . . . . 25.0 106.359 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 160.83 -164.75 34.87 Favored Glycine 0 C--O 1.227 -0.305 0 N-CA-C 110.355 -1.098 . . . . 25.0 110.355 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.37 66.59 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.239 0.542 . . . . 25.0 109.959 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.86 11.16 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 104.379 -3.489 . . . . 25.0 104.379 174.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.06 114.98 47.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 CA-C-N 118.032 0.916 . . . . 50.0 108.838 -176.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.33 118.81 36.87 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.098 -0.376 . . . . 25.0 110.027 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -91.62 133.54 35.46 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 106.63 -1.619 . . . . 25.0 106.63 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.476 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 94.1 m-85 -123.34 117.6 25.62 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -130.11 116.05 17.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.059 -0.519 . . . . 25.0 109.886 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -111.98 139.26 47.63 Favored 'General case' 0 CA--C 1.48 -1.733 0 CA-C-O 123.411 1.577 . . . . 25.0 108.753 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 HG22 ' A' ' 49' ' ' VAL 0.338 0.9 OUTLIER -141.69 133.44 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 N-CA-C 120.637 3.569 . . . . 50.0 120.637 -168.277 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -90.54 135.93 33.39 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 112.858 -1.974 . . . . 25.0 107.782 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' A' ' 97' ' ' CYS . 7.1 mp -115.77 143.54 45.24 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 116.816 2.154 . . . . 25.0 116.816 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.23 165.34 30.79 Favored Glycine 0 N--CA 1.439 -1.136 1 N-CA-C 102.965 -4.054 . . . . 25.0 102.965 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -125.78 133.08 52.15 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 106.064 -1.828 . . . . 25.0 106.064 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -88.64 142.88 27.32 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.3 p -75.82 -17.81 59.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.494 0.664 . . . . 25.0 109.562 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 56.7 m -99.98 160.54 14.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.628 ' H ' ' HB2' ' A' ' 77' ' ' GLN . 1.4 p -131.1 178.26 6.83 Favored 'General case' 0 C--O 1.21 -0.99 0 CA-C-N 115.873 -0.603 . . . . 25.0 112.379 -172.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.35 -27.33 62.16 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 116.096 1.887 . . . . 25.0 116.096 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.307 0.8 OUTLIER -107.17 -15.35 14.69 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 116.17 1.915 . . . . 25.0 116.17 179.186 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.628 ' HB2' ' H ' ' A' ' 74' ' ' THR . 89.2 mm-40 -83.21 153.56 66.2 Favored Pre-proline 0 C--N 1.298 -1.661 0 CA-C-N 111.466 -2.606 . . . . 25.0 108.718 176.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.93 177.23 9.0 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 121.571 1.514 . . . . 25.0 114.875 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 61.79 41.9 11.22 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 116.091 1.885 . . . . 25.0 116.091 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.63 -14.64 45.56 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.461 0.912 . . . . 25.0 113.461 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -42.13 15.4 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 122.336 1.065 . . . . 25.0 109.525 178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -86.9 -35.52 18.91 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 116.135 1.902 . . . . 25.0 116.135 -170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 24.5 m -63.88 -58.97 12.61 Favored Pre-proline 0 C--N 1.323 -0.552 0 C-N-CA 119.607 -0.837 . . . . 25.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -65.31 -26.12 56.38 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 114.596 -3.136 . . . . 25.0 114.771 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -58.78 -40.05 82.84 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 118.539 0.609 . . . . 25.0 110.282 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -84.49 -30.05 25.51 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.436 0.902 . . . . 25.0 113.436 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -66.33 -36.17 82.23 Favored 'General case' 0 C--N 1.32 -0.699 0 O-C-N 121.709 -0.619 . . . . 25.0 112.136 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -61.59 -55.26 44.17 Favored Pre-proline 0 N--CA 1.472 0.638 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.64 -21.72 58.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 114.649 -3.101 . . . . 25.0 114.443 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -70.23 -15.24 62.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.036 -0.415 . . . . 25.0 111.197 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.29 63.6 1.94 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.309 0.576 . . . . 25.0 110.716 175.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -68.49 -32.04 71.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 104.917 -2.253 . . . . 25.0 104.917 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -84.24 105.81 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 105.085 -2.191 . . . . 25.0 105.085 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.86 136.59 34.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 174.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' HB1' HE21 ' A' ' 118' ' ' GLN . . . -143.14 124.07 14.33 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 105.417 -2.068 . . . . 25.0 105.417 178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -124.33 141.79 51.79 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.873 1.805 . . . . 25.0 115.873 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 68' ' ' LEU . 95.1 m -98.74 160.13 14.48 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 125.334 1.454 . . . . 25.0 108.282 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.8 t -129.71 124.25 33.09 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 107.921 -1.14 . . . . 25.0 107.921 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -117.28 127.13 53.77 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -130.51 117.46 19.64 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -175.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.0 mt -109.48 124.95 66.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -176.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -93.22 124.2 37.03 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 173.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.92 133.66 45.07 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 103.156 -2.905 . . . . 25.0 103.156 177.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -102.25 103.24 29.43 Favored Pre-proline 0 N--CA 1.436 -1.139 1 N-CA-C 95.47 -5.752 . . . . 50.0 95.47 -173.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -75.21 -24.03 12.9 Favored 'Trans proline' 0 N--CA 1.453 -0.869 1 C-N-CA 106.52 -8.52 . . . . 25.0 114.417 -170.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -59.58 -28.93 67.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.589 -1.187 . . . . 25.0 113.474 -176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -108.34 -5.48 16.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.212 -0.449 . . . . 25.0 111.798 -177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.37 17.24 79.72 Favored Glycine 0 C--O 1.228 -0.268 0 CA-C-O 122.117 0.843 . . . . 25.0 111.452 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -109.91 167.36 10.22 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 -177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.48 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 33.3 mtt -148.11 157.45 43.51 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 105.783 -1.932 . . . . 25.0 105.783 172.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 36.1 m -142.0 137.63 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 123.011 0.524 . . . . 25.0 109.75 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.4 tp -67.97 102.31 1.26 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 172.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -79.7 -30.65 41.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.098 0.777 . . . . 25.0 113.098 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -146.13 132.16 19.27 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.06 0.457 . . . . 25.0 111.457 178.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.06 117.07 17.88 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 102.589 -3.115 . . . . 25.0 102.589 171.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.18 154.24 50.81 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.392 -2.447 . . . . 25.0 104.392 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.7 m -141.6 179.74 6.64 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-O 121.607 0.718 . . . . 25.0 111.495 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.442 HE21 ' HB1' ' A' ' 95' ' ' ALA . 0.0 OUTLIER -106.53 160.09 15.68 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -170.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -70.39 151.63 44.98 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 106.452 -1.684 . . . . 25.0 106.452 170.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 117.95 -1.024 . . . . 25.0 109.858 178.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.202 -0.296 . . . . 25.0 110.202 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -70.47 147.49 94.92 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 104.402 -2.444 . . . . 25.0 104.402 173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -69.78 169.45 18.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 117.345 -1.303 . . . . 25.0 112.785 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.63 26.24 47.17 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.791 -0.719 . . . . 25.0 113.814 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -122.01 61.46 13.52 Favored Pre-proline 0 CA--C 1.547 0.861 0 N-CA-C 113.38 0.881 . . . . 25.0 113.38 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.28 173.3 14.56 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.746 1.631 . . . . 25.0 112.527 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.17 154.04 73.27 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 114.605 -3.13 . . . . 25.0 109.649 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ptp85 -140.4 159.41 42.26 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.441 -1.318 . . . . 25.0 107.441 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 70.4 mt -130.72 120.78 24.35 Favored 'General case' 0 CA--C 1.478 -1.8 0 CA-C-O 123.165 1.459 . . . . 25.0 109.165 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -105.61 -40.22 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.418 0 CA-C-N 110.969 -2.832 . . . . 50.0 109.808 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.8 143.74 11.38 Favored Glycine 0 C--O 1.225 -0.452 0 N-CA-C 108.569 -1.812 . . . . 25.0 108.569 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.08 -168.87 47.03 Favored Glycine 0 C--O 1.242 0.623 0 N-CA-C 110.662 -0.975 . . . . 25.0 110.662 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -80.4 143.81 15.71 Favored 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 117.149 -1.434 . . . . 25.0 113.057 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ptt? -148.91 150.25 32.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.801 -1.555 . . . . 25.0 106.801 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.97 147.54 22.88 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 104.841 -2.281 . . . . 25.0 104.841 173.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.64 150.69 43.89 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 103.122 -2.918 . . . . 25.0 103.122 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.0 p -78.99 158.34 27.96 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 115.962 -0.563 . . . . 25.0 109.652 -172.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 m -65.87 -15.42 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.511 0.672 . . . . 50.0 110.463 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -82.54 -25.98 32.87 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.46 -0.791 . . . . 25.0 111.006 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.301 2.6 mp0 -53.43 132.14 39.22 Favored 'General case' 0 CA--C 1.432 -3.57 0 N-CA-C 119.061 2.986 . . . . 25.0 119.061 171.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.39 -24.89 63.93 Favored 'General case' 0 N--CA 1.406 -2.666 0 C-N-CA 117.352 -1.739 . . . . 25.0 111.075 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.7 -23.25 73.93 Favored Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.771 -0.932 . . . . 25.0 110.771 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -88.58 -44.64 15.59 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.102 0 N-CA-C 108.309 -0.997 . . . . 50.0 108.309 175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -53.3 -42.85 67.03 Favored 'General case' 0 C--O 1.22 -0.46 0 N-CA-C 113.075 0.768 . . . . 25.0 113.075 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -27.53 69.37 Favored 'General case' 0 C--O 1.198 -1.616 0 C-N-CA 119.84 -0.744 . . . . 25.0 112.831 177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.49 -32.71 22.09 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 108.368 -0.975 . . . . 25.0 108.368 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.91 -62.77 1.57 Allowed 'General case' 0 C--O 1.204 -1.333 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.23 -33.43 75.34 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.915 0.759 . . . . 25.0 110.477 -173.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -62.62 -49.66 74.34 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 108.596 -0.89 . . . . 25.0 108.596 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.4 -46.47 76.58 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.264 1.1 t -75.9 -36.67 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.211 0 N-CA-C 105.951 -1.87 . . . . 50.0 105.951 -173.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -60.93 -38.54 95.6 Favored Glycine 0 C--O 1.21 -1.356 0 N-CA-C 108.027 -2.029 . . . . 25.0 108.027 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 52.8 mt-10 -85.48 -26.79 26.08 Favored 'General case' 0 CA--C 1.481 -1.709 0 CA-C-O 122.818 1.294 . . . . 25.0 113.587 -176.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -87.11 -62.95 1.39 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 116.413 2.005 . . . . 25.0 116.413 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -83.67 -53.48 5.61 Favored 'General case' 0 C--O 1.211 -0.934 0 CA-C-N 112.726 -2.034 . . . . 25.0 112.961 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -68.89 -31.82 71.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.174 -0.921 . . . . 25.0 109.957 -178.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.64 -32.11 65.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 -178.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -74.86 153.28 38.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 25.0 109.754 174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -87.03 55.03 3.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.586 0.708 . . . . 25.0 110.195 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -67.03 129.36 39.65 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.583 -0.735 . . . . 25.0 109.856 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 95.2 mtp -73.47 -15.04 61.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.08 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -123.7 164.08 19.83 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.166 -1.05 . . . . 25.0 108.166 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -85.94 112.91 21.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 56.7 m -117.94 142.83 46.92 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 105.511 -2.033 . . . . 25.0 105.511 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.1 159.55 44.33 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 120.899 -0.321 . . . . 25.0 110.998 -173.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -66.27 102.13 0.81 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 169.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.8 mt -70.74 -49.56 45.6 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-O 121.756 0.789 . . . . 25.0 110.829 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -148.07 129.86 15.16 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 113.943 -1.481 . . . . 25.0 107.949 -170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.635 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -83.34 129.42 37.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.586 -1.264 . . . . 50.0 107.586 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.9 t -87.05 -44.02 16.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.058 -1.09 . . . . 50.0 108.058 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -142.99 140.62 31.1 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 109.806 -0.442 . . . . 25.0 109.806 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -139.39 117.86 12.12 Favored 'General case' 0 CA--C 1.507 -0.688 0 N-CA-C 106.884 -1.524 . . . . 25.0 106.884 176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.63 167.77 27.8 Favored 'General case' 0 CA--C 1.491 -1.316 0 CA-C-O 121.596 0.712 . . . . 25.0 112.145 -172.627 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.73 143.06 33.33 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.649 -1.159 . . . . 25.0 110.324 -174.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -113.99 115.91 28.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.51 -2.404 . . . . 25.0 104.51 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.19 134.56 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.97 -160.19 25.62 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 108.58 -1.808 . . . . 25.0 108.58 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.3 -26.79 68.61 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 117.687 0.744 . . . . 25.0 109.996 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.59 145.78 17.0 Favored Glycine 0 N--CA 1.448 -0.505 1 N-CA-C 101.119 -4.792 . . . . 25.0 101.119 172.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 83.5 t -121.6 132.68 70.2 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.982 0 CA-C-N 118.66 1.23 . . . . 50.0 108.075 -176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -125.88 136.24 52.84 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.477 -0.564 . . . . 25.0 109.477 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 18.7 m-30 -105.66 137.42 43.54 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 104.251 -2.5 . . . . 25.0 104.251 174.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.42 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.5 m-85 -123.1 132.14 53.97 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.942 -2.244 . . . . 25.0 104.942 177.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -138.14 116.97 12.32 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -114.72 135.56 54.03 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 123.488 1.614 . . . . 25.0 108.508 -178.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -145.66 141.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 120.869 3.655 . . . . 50.0 120.869 -164.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -93.02 136.58 33.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.498 -1.683 . . . . 25.0 108.599 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.57 149.46 32.71 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.124 0.964 . . . . 25.0 113.134 177.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -164.99 161.02 34.39 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 103.872 -3.691 . . . . 25.0 103.872 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -95.06 139.63 31.14 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 104.77 -2.307 . . . . 25.0 104.77 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.1 p -94.64 143.02 26.78 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -174.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.3 p -75.22 -17.75 60.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.96 154.89 18.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.617 0.723 . . . . 25.0 111.859 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.516 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 21.4 p -95.77 173.42 7.47 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 106.304 -1.739 . . . . 25.0 106.304 174.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -62.75 -17.0 60.2 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 115.659 1.725 . . . . 25.0 115.659 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.25 -14.29 13.84 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 119.013 2.968 . . . . 25.0 119.013 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 74' ' ' THR . 18.5 mm-40 -53.78 146.86 25.14 Favored Pre-proline 0 C--N 1.295 -1.79 0 CA-C-N 112.251 -2.25 . . . . 25.0 113.354 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.88 0.66 9.42 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 121.389 1.393 . . . . 25.0 115.519 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -123.2 40.0 3.82 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.987 1.477 . . . . 25.0 114.987 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.37 -14.19 25.58 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.916 1.821 . . . . 25.0 115.916 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -84.26 -42.23 16.08 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 122.051 0.929 . . . . 25.0 109.392 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -78.87 -39.02 36.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 -172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 76.9 m -60.54 -61.13 8.58 Favored Pre-proline 0 C--O 1.215 -0.737 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.259 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -67.34 -21.37 47.5 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 114.642 -3.105 . . . . 25.0 114.431 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -64.52 -38.27 90.43 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -83.55 -33.21 25.51 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.156 0.799 . . . . 25.0 113.156 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.85 -42.66 99.32 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 122.916 0.486 . . . . 25.0 111.611 -175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -58.82 -56.18 38.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 112.933 0.716 . . . . 25.0 112.933 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -70.45 -17.18 34.6 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 114.707 -3.062 . . . . 25.0 114.532 176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -66.56 -29.09 69.07 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.3 mt -72.6 85.59 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.291 0.567 . . . . 25.0 112.336 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -76.91 -32.73 57.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 173.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -95.22 136.02 36.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 101.515 -3.513 . . . . 25.0 101.515 171.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -127.12 148.37 50.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.93 136.79 51.83 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -124.24 138.35 54.41 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 40.2 m -104.58 159.77 15.48 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.664 -1.153 . . . . 25.0 111.367 172.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.6 m -129.82 118.14 21.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 172.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.62 136.68 51.89 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 114' ' ' LYS . 51.9 tt0 -130.34 118.01 20.62 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 176.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.4 mt -107.2 120.31 58.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 105.872 -1.899 . . . . 25.0 105.872 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -90.44 123.17 33.94 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 105.473 -2.047 . . . . 25.0 105.473 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.71 133.61 44.92 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 104.537 -2.394 . . . . 25.0 104.537 178.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -102.89 103.09 31.33 Favored Pre-proline 0 CA--C 1.49 -1.363 1 N-CA-C 97.78 -4.896 . . . . 50.0 97.78 -171.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.41 -19.11 17.32 Favored 'Trans proline' 0 N--CA 1.45 -1.037 1 C-N-CA 106.571 -8.486 . . . . 25.0 114.716 -170.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.05 -29.03 59.87 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.222 0.823 . . . . 25.0 113.222 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -117.22 -1.99 11.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.973 0.36 . . . . 25.0 111.973 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.25 16.07 78.74 Favored Glycine 0 N--CA 1.462 0.368 0 CA-C-O 122.232 0.906 . . . . 25.0 111.365 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 p -101.63 167.25 10.24 Favored 'General case' 0 CA--C 1.504 -0.815 0 C-N-CA 124.109 0.964 . . . . 25.0 109.32 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.08 157.6 43.6 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.215 -1.402 . . . . 25.0 107.215 169.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 m -143.7 139.54 29.56 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.331 0.653 . . . . 25.0 109.461 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.4 114.21 4.65 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 108.655 -0.868 . . . . 25.0 108.655 174.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -88.83 -27.77 20.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.543 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 100' ' ' GLN . 9.0 ttmt -152.15 138.1 18.11 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 110.198 -0.297 . . . . 25.0 110.198 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.83 107.97 5.48 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 104.746 -2.316 . . . . 25.0 104.746 172.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -130.92 148.83 52.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 2.4 t -155.59 178.24 10.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 114.258 1.207 . . . . 25.0 114.258 -178.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -116.58 150.88 37.31 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 106.487 -1.671 . . . . 25.0 106.487 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -66.56 137.15 56.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.643 0.201 . . . . 25.0 110.912 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.479 0 CA-C-O 117.583 -1.199 . . . . 25.0 110.32 -175.56 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.592 -0.151 . . . . 25.0 110.592 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m 45.95 52.27 10.92 Favored Pre-proline 0 CA--C 1.544 0.726 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.92 -15.41 18.79 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 116.839 -1.641 . . . . 25.0 114.344 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.41 -143.57 27.24 Favored Glycine 0 N--CA 1.44 -1.065 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.055 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -145.61 139.65 15.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 106.64 -1.615 . . . . 25.0 106.64 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -66.58 146.99 81.25 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 115.276 -2.682 . . . . 25.0 110.829 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -76.36 -0.02 9.93 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 N-CA-C 115.942 1.478 . . . . 25.0 115.942 -175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -65.52 147.06 54.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.878 -0.514 . . . . 25.0 111.13 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 mp -93.92 148.46 22.13 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 106.201 -1.777 . . . . 25.0 106.201 176.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -145.84 150.66 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.917 0 CA-C-N 114.875 -1.057 . . . . 50.0 108.569 -171.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.97 162.43 24.73 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 103.757 -3.737 . . . . 25.0 103.757 175.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.55 -161.18 52.54 Favored Glycine 0 C--O 1.239 0.469 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -79.7 146.95 19.21 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 CA-C-N 119.443 1.622 . . . . 25.0 115.309 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.6 ptm -148.91 139.98 23.03 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.82 140.97 31.69 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 173.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.32 163.84 15.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.663 -1.236 . . . . 25.0 107.663 -179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -69.32 144.73 53.43 Favored 'General case' 0 C--O 1.206 -1.233 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.582 ' HA ' HG11 ' A' ' 23' ' ' VAL . 11.4 m -68.65 -16.65 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.61 1.095 . . . . 50.0 109.013 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -90.05 -5.91 56.09 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 114.306 -1.315 . . . . 25.0 110.23 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -60.07 140.76 56.64 Favored 'General case' 0 CA--C 1.426 -3.809 0 N-CA-C 116.709 2.114 . . . . 25.0 116.709 170.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -70.3 -29.47 66.23 Favored 'General case' 0 N--CA 1.4 -2.927 0 C-N-CA 116.749 -1.981 . . . . 25.0 111.553 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.52 -24.93 73.91 Favored Glycine 0 C--O 1.222 -0.619 0 N-CA-C 110.122 -1.191 . . . . 25.0 110.122 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 18' ' ' VAL . 47.3 t -85.34 -47.79 16.66 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 CA-C-N 117.466 0.633 . . . . 50.0 110.617 176.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -48.36 -48.51 36.5 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.645 0.657 . . . . 25.0 112.542 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -28.35 69.64 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 112.883 0.698 . . . . 25.0 112.883 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' HB1' HD21 ' A' ' 64' ' ' LEU . . . -85.56 -34.13 21.56 Favored 'General case' 0 C--O 1.21 -0.985 0 N-CA-C 107.881 -1.155 . . . . 25.0 107.881 -176.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.5 mt -61.62 -56.19 22.48 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -73.5 -30.75 63.32 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.505 0.503 . . . . 25.0 110.04 -174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.61 -48.1 78.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 108.366 -0.976 . . . . 25.0 108.366 174.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.42 -47.87 66.07 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 -178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.271 1.1 t -74.65 -37.8 44.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.113 0 N-CA-C 106.876 -1.528 . . . . 50.0 106.876 -174.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.0 -35.75 92.53 Favored Glycine 0 C--O 1.211 -1.343 0 N-CA-C 108.143 -1.983 . . . . 25.0 108.143 -177.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 2.3 tt0 -85.52 -28.62 24.82 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.607 1.194 . . . . 25.0 111.752 -176.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.82 -62.98 1.38 Allowed 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 116.117 1.895 . . . . 25.0 116.117 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -84.22 -52.54 6.16 Favored 'General case' 0 C--O 1.208 -1.081 0 CA-C-N 112.83 -1.986 . . . . 25.0 111.579 -172.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.1 tmtm? -71.08 -28.91 64.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.668 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.9 -32.01 65.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -76.78 159.28 30.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -63.54 126.1 26.41 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.518 -0.473 . . . . 25.0 110.093 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -77.3 101.43 6.27 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -92.64 -35.18 13.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.528 0.68 . . . . 25.0 110.19 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -147.29 136.73 22.68 Favored 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 102.885 -3.006 . . . . 25.0 102.885 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.16 112.56 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.895 0.747 . . . . 25.0 109.941 -177.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m -130.23 136.38 49.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.505 -0.554 . . . . 25.0 109.505 -177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -150.98 164.37 36.55 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.088 -0.383 . . . . 25.0 111.974 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -68.45 102.29 1.41 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 105.15 -2.167 . . . . 25.0 105.15 171.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.01 -47.81 27.23 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 122.174 0.988 . . . . 25.0 111.388 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -140.04 121.57 15.17 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 113.968 -1.469 . . . . 25.0 109.1 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.618 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.98 128.57 38.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 175.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.1 t -87.32 -44.1 15.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.663 -1.236 . . . . 50.0 107.663 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mmt85 -144.66 146.61 32.34 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -142.96 115.84 8.77 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -148.37 162.42 39.59 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-O 121.503 0.668 . . . . 25.0 110.471 -173.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -131.77 164.87 25.06 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.754 -1.112 . . . . 25.0 108.801 -177.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -131.05 118.56 20.74 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 105.461 -2.052 . . . . 25.0 105.461 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.02 131.23 53.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.615 -0.513 . . . . 25.0 109.615 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -157.98 17.31 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 106.759 -2.536 . . . . 25.0 106.759 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.6 -25.41 68.22 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.896 0.848 . . . . 25.0 110.038 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.16 154.06 16.82 Favored Glycine 0 N--CA 1.449 -0.493 1 N-CA-C 102.683 -4.167 . . . . 25.0 102.683 174.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.5 t -122.07 133.58 67.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 CA-C-N 118.602 1.201 . . . . 50.0 108.421 -176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -121.72 139.31 53.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -111.75 115.96 29.92 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.155 -1.795 . . . . 25.0 106.155 175.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.444 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 96.1 m-85 -106.78 120.93 43.33 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 106.736 -1.579 . . . . 25.0 106.736 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 HD21 ' HB1' ' A' ' 26' ' ' ALA . 1.4 mm? -121.29 132.01 54.55 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.199 -1.408 . . . . 25.0 107.199 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -118.72 131.01 56.13 Favored 'General case' 0 CA--C 1.482 -1.655 0 CA-C-O 123.754 1.74 . . . . 25.0 106.396 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.618 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.12 138.38 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.716 0 N-CA-C 121.424 3.861 . . . . 50.0 121.424 -166.207 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -94.59 119.0 32.56 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.339 -2.209 . . . . 25.0 105.905 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.9 mt -91.95 140.94 29.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.942 -1.027 . . . . 25.0 108.649 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -150.74 179.16 27.69 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.852 -1.699 . . . . 25.0 108.852 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -132.03 163.46 28.37 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 122.329 0.252 . . . . 25.0 110.57 -176.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 47.9 p -119.86 142.87 48.27 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.501 -1.296 . . . . 25.0 107.501 174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.4 p -82.75 -20.09 36.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 25.0 110.444 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.39 160.31 14.44 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.989 0.899 . . . . 25.0 111.702 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 p -105.82 177.07 4.96 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 113.66 -1.609 . . . . 25.0 110.975 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.28 -22.97 63.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.624 1.713 . . . . 25.0 115.624 176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.266 0.8 OUTLIER -107.33 -14.41 14.89 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 117.558 2.429 . . . . 25.0 117.558 179.656 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -60.17 153.58 56.39 Favored Pre-proline 0 C--N 1.298 -1.653 0 CA-C-N 111.988 -2.369 . . . . 25.0 111.648 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.83 165.35 32.46 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 N-CA-C 113.492 0.535 . . . . 25.0 113.492 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.4 p30 45.92 62.43 2.24 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 116.579 2.066 . . . . 25.0 116.579 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 mp -60.87 -10.79 6.14 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 175.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -42.34 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.382 1.087 . . . . 25.0 110.7 177.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -87.89 -39.31 14.89 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -172.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 t -59.26 -54.12 59.42 Favored Pre-proline 0 C--N 1.32 -0.693 0 C-N-CA 119.769 -0.773 . . . . 25.0 111.015 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 87.7 Cg_endo -70.21 -23.02 29.2 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 113.892 -3.605 . . . . 25.0 114.21 177.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.9 -38.36 82.06 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 118.785 0.72 . . . . 25.0 109.442 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -84.64 -20.16 31.77 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 36.5 m-20 -71.7 -37.85 70.64 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.962 -0.462 . . . . 25.0 110.453 178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.44 -54.79 47.1 Favored Pre-proline 0 N--CA 1.469 0.52 0 O-C-N 121.406 -0.809 . . . . 25.0 113.085 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -71.15 -11.44 28.93 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 115.391 -2.606 . . . . 25.0 114.268 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -73.78 -32.15 63.65 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.68 77.87 2.66 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.57 0.7 . . . . 25.0 109.723 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.84 -13.62 59.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 121.525 0.678 . . . . 25.0 110.102 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 -125.19 125.86 44.31 Favored 'General case' 0 CA--C 1.503 -0.844 0 N-CA-C 100.953 -3.721 . . . . 25.0 100.953 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -122.89 139.93 53.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 103.586 -2.746 . . . . 25.0 103.586 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -82.55 145.09 29.94 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 105.668 -1.975 . . . . 25.0 105.668 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.424 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 50.2 p90 -117.56 133.16 56.26 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 107.744 -1.206 . . . . 25.0 107.744 172.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.5 m -130.47 160.13 35.01 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.107 -1.406 . . . . 25.0 111.264 -173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.5 m -128.12 128.84 45.6 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -124.44 119.57 29.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.221 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -112.38 112.65 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.1 mt -100.11 122.91 52.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 105.892 -1.892 . . . . 25.0 105.892 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -90.23 125.07 35.36 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 104.914 -2.254 . . . . 25.0 104.914 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -102.85 132.87 48.74 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 104.409 -2.441 . . . . 25.0 104.409 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.9 103.25 27.88 Favored Pre-proline 0 N--CA 1.434 -1.25 1 N-CA-C 97.258 -5.09 . . . . 50.0 97.258 -170.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.4 -21.78 14.8 Favored 'Trans proline' 0 N--CA 1.452 -0.929 1 C-N-CA 106.464 -8.557 . . . . 25.0 115.108 -168.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 8.1 t90 -59.26 -32.08 69.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.262 -0.881 . . . . 25.0 112.71 -176.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -107.68 -2.53 20.06 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.369 -0.207 . . . . 25.0 111.377 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.65 15.93 75.8 Favored Glycine 0 N--CA 1.459 0.205 0 CA-C-O 122.081 0.823 . . . . 25.0 111.714 -179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 p -101.76 167.48 10.06 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 108.797 -0.816 . . . . 25.0 108.797 -176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 12.5 ptm -148.21 157.47 43.51 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 170.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.4 m -149.22 140.69 23.34 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 123.217 0.607 . . . . 25.0 110.354 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.4 tp -65.44 112.88 3.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.48 0.657 . . . . 25.0 110.155 176.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -88.7 -32.46 17.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 25.0 111.881 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -144.96 131.78 20.13 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.129 0.49 . . . . 25.0 110.03 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.57 118.78 18.65 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.195 -2.52 . . . . 25.0 104.195 174.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -135.3 148.39 49.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.683 -1.969 . . . . 25.0 105.683 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.52 172.52 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.268 1.21 . . . . 25.0 114.268 -173.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.424 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 5.7 mm-40 -118.05 160.18 21.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 113.959 -1.473 . . . . 25.0 109.093 176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -72.79 151.64 41.97 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 123.315 0.646 . . . . 25.0 112.13 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 N-CA-C 103.816 -2.661 . . . . 25.0 103.816 174.395 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 118.805 -0.617 . . . . 25.0 110.052 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p 37.25 63.36 3.18 Favored Pre-proline 0 N--CA 1.481 1.12 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -71.59 154.27 59.9 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 116.852 -1.632 . . . . 25.0 112.557 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.02 -139.7 24.65 Favored Glycine 0 C--O 1.226 -0.391 0 N-CA-C 109.084 -1.606 . . . . 25.0 109.084 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 70.1 tttt 42.45 54.8 9.68 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 113.794 1.035 . . . . 25.0 113.794 178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.91 150.71 30.47 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 117.062 -1.492 . . . . 25.0 114.073 -175.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -75.49 156.85 40.9 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 117.594 -1.137 . . . . 25.0 111.268 175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -81.81 -23.0 36.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 122.03 -0.419 . . . . 25.0 111.399 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 67.15 5.99 4.5 Favored 'General case' 0 CA--C 1.466 -2.255 0 C-N-CA 124.229 1.011 . . . . 25.0 112.699 -173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -147.34 140.16 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.33 0 N-CA-C 104.736 -2.32 . . . . 50.0 104.736 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.26 -169.58 28.91 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.168 -1.573 . . . . 25.0 109.168 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.61 -166.15 37.57 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.66 152.31 69.8 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 116.949 -1.567 . . . . 25.0 111.599 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.1 ptm -138.96 142.59 38.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.115 -0.328 . . . . 25.0 110.115 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.24 147.4 28.02 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 174.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.67 155.76 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 104.434 -2.432 . . . . 25.0 104.434 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.3 m -74.73 153.96 38.6 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' HG11 ' A' ' 23' ' ' VAL . 19.5 m -65.5 -21.52 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.323 0.582 . . . . 50.0 109.523 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -76.3 -23.77 54.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.259 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.269 1.2 mp0 -52.45 134.74 34.53 Favored 'General case' 0 CA--C 1.428 -3.738 0 N-CA-C 118.446 2.758 . . . . 25.0 118.446 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -70.69 -24.18 62.62 Favored 'General case' 0 N--CA 1.403 -2.821 0 C-N-CA 116.686 -2.006 . . . . 25.0 111.897 -177.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.77 -25.39 73.0 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.123 -1.191 . . . . 25.0 110.123 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 18' ' ' VAL . 74.0 t -88.48 -47.01 15.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.004 0 CA-C-N 117.44 0.62 . . . . 50.0 109.558 176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmm-85 -50.91 -46.02 60.59 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.468 0.544 . . . . 25.0 112.468 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -25.37 68.15 Favored 'General case' 0 C--O 1.198 -1.63 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -36.5 20.32 Favored 'General case' 0 C--O 1.209 -1.079 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -62.1 2.02 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 109.645 -0.502 . . . . 25.0 109.645 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -72.32 -27.99 62.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.988 -170.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -69.33 -45.49 69.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 175.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.98 71.44 Favored 'General case' 0 C--O 1.211 -0.943 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 31' ' ' VAL 0.276 1.1 t -72.22 -39.7 64.79 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.117 0 N-CA-C 106.275 -1.75 . . . . 50.0 106.275 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.467 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -61.77 -37.86 94.99 Favored Glycine 0 C--O 1.205 -1.682 0 N-CA-C 108.534 -1.826 . . . . 25.0 108.534 -176.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 4.0 tt0 -85.3 -28.0 25.57 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.429 1.109 . . . . 25.0 111.952 -175.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -86.5 -63.01 1.38 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 123.856 1.789 . . . . 25.0 115.521 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -84.49 -51.61 6.78 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 112.216 -2.265 . . . . 25.0 112.682 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.467 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -70.53 -31.36 68.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.159 -0.473 . . . . 25.0 109.748 -178.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -71.91 -32.12 67.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.927 -1.138 . . . . 25.0 107.927 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.5 t -77.27 152.07 34.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.448 -0.796 . . . . 25.0 109.832 176.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -87.67 53.73 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.616 0.722 . . . . 25.0 110.375 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -66.48 128.5 36.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.735 -0.666 . . . . 25.0 109.452 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.2 mtm -70.22 -19.45 63.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.631 -0.713 . . . . 25.0 110.774 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -116.78 164.67 14.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.5 112.44 22.98 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.901 -1.518 . . . . 25.0 106.901 177.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -109.38 137.31 47.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.17 160.01 41.09 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.455 -0.339 . . . . 25.0 110.446 -178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.15 102.24 1.63 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 104.5 -2.407 . . . . 25.0 104.5 170.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.64 -48.1 56.67 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.958 0.885 . . . . 25.0 111.953 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -148.86 128.72 13.4 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 114.125 -1.398 . . . . 25.0 108.674 -171.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.78 131.09 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.167 -1.049 . . . . 50.0 108.167 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 t -91.91 -42.0 13.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 50.0 109.233 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -144.56 143.66 30.92 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 -177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -146.58 111.88 5.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 25.0 109.522 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -151.5 168.86 23.56 Favored 'General case' 0 CA--C 1.49 -1.336 0 CA-C-O 121.828 0.823 . . . . 25.0 113.204 -175.651 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.71 139.25 50.29 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 114.089 -1.414 . . . . 25.0 111.627 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -98.82 130.31 45.25 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.034 -1.099 . . . . 25.0 108.034 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.8 mt -98.94 138.95 21.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.765 -1.569 . . . . 25.0 106.765 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.05 -159.46 32.01 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 109.611 -1.395 . . . . 25.0 109.611 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.21 -1.21 16.82 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.835 0.826 . . . . 25.0 110.848 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -152.84 158.77 28.08 Favored Glycine 0 N--CA 1.444 -0.785 1 N-CA-C 101.612 -4.595 . . . . 25.0 101.612 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.4 t -122.06 124.59 71.56 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.068 0 CA-C-N 118.581 1.19 . . . . 50.0 109.025 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -110.61 124.0 51.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.099 0.476 . . . . 25.0 109.798 178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -92.03 111.25 22.72 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 105.556 -2.016 . . . . 25.0 105.556 174.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 74.4 m-85 -98.54 117.01 32.0 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -128.5 114.31 16.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.493 -177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -109.28 138.64 45.32 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 123.219 1.485 . . . . 25.0 108.196 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -150.23 141.61 16.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 N-CA-C 120.644 3.572 . . . . 50.0 120.644 -166.004 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -90.36 132.8 35.39 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.328 -1.76 . . . . 25.0 108.051 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -111.49 146.42 37.29 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 122.284 1.04 . . . . 25.0 111.064 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -159.94 158.16 29.44 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 105.527 -3.029 . . . . 25.0 105.527 176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -87.71 128.5 35.3 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 105.045 -2.206 . . . . 25.0 105.045 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.0 p -92.51 149.98 21.04 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.384 0.611 . . . . 25.0 111.765 -175.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 p -76.74 -12.94 60.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.488 -0.778 . . . . 25.0 109.706 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 1.3 m -99.76 144.86 28.34 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.766 0.793 . . . . 25.0 109.017 177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.46 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 17.8 p -90.69 175.71 6.93 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 105.882 -1.896 . . . . 25.0 105.882 175.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -62.67 -17.96 61.52 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -110.49 -14.74 14.04 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 118.951 2.945 . . . . 25.0 118.951 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.46 ' HG3' ' H ' ' A' ' 74' ' ' THR . 7.4 mm100 -53.12 147.5 17.19 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 112.495 -2.139 . . . . 25.0 114.425 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -83.74 10.23 3.77 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 122.112 1.875 . . . . 25.0 116.199 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -127.14 35.36 4.59 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -174.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.0 -10.56 6.03 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 117.87 2.544 . . . . 25.0 117.87 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -42.26 13.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.71 1.141 . . . . 25.0 109.644 173.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -38.25 33.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.959 -1.019 . . . . 25.0 113.324 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.7 m -59.07 -60.1 11.65 Favored Pre-proline 0 C--O 1.215 -0.749 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.942 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 74.3 Cg_endo -66.26 -23.18 52.4 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 114.749 -3.034 . . . . 25.0 113.77 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -59.44 -50.44 73.93 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -84.71 -19.51 32.64 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 114.09 1.145 . . . . 25.0 114.09 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 88.5 m-20 -69.69 -34.74 74.36 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 121.231 -0.918 . . . . 25.0 109.944 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -57.26 -58.12 20.16 Favored Pre-proline 0 N--CA 1.47 0.566 0 N-CA-C 112.162 0.43 . . . . 25.0 112.162 176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -66.82 -25.86 45.34 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 114.536 -3.176 . . . . 25.0 114.647 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -82.47 4.57 23.76 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 112.736 0.643 . . . . 25.0 112.736 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.76 91.89 3.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.868 -0.789 . . . . 25.0 108.868 175.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -14.02 54.54 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.628 -0.715 . . . . 25.0 110.832 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -138.18 133.46 33.32 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 174.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -105.51 138.49 41.62 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -119.8 135.39 54.88 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 104.299 -2.482 . . . . 25.0 104.299 174.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.404 ' H ' ' HB2' ' A' ' 118' ' ' GLN . 40.2 p90 -124.0 140.08 53.33 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 106.676 -1.602 . . . . 25.0 106.676 177.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.3 m -127.88 160.14 32.75 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.649 -1.16 . . . . 25.0 111.993 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.4 m -129.78 122.25 28.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -115.71 135.46 54.02 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.75 109.24 10.8 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.155 -1.054 . . . . 25.0 108.155 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.6 mt -100.41 120.39 49.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 106.461 -1.681 . . . . 25.0 106.461 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -90.56 121.95 32.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.648 -1.982 . . . . 25.0 105.648 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.23 135.79 41.12 Favored 'General case' 0 N--CA 1.431 -1.4 0 N-CA-C 104.25 -2.5 . . . . 25.0 104.25 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.2 t -100.82 103.28 23.64 Favored Pre-proline 0 C--O 1.252 1.212 1 N-CA-C 96.215 -5.476 . . . . 50.0 96.215 -173.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.16 -21.43 15.57 Favored 'Trans proline' 0 N--CA 1.452 -0.955 1 C-N-CA 106.672 -8.418 . . . . 25.0 114.299 -169.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -62.27 -18.63 61.76 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 114.367 1.247 . . . . 25.0 114.367 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -121.75 -2.5 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.502 -0.317 . . . . 25.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.54 14.96 75.14 Favored Glycine 0 N--CA 1.46 0.271 0 CA-C-O 121.914 0.73 . . . . 25.0 111.844 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -102.52 167.21 10.08 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.901 0.88 . . . . 25.0 108.877 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.443 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 20.3 ptt? -148.34 157.5 43.52 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 170.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.7 m -143.61 139.94 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.295 0.638 . . . . 25.0 109.999 178.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.8 tp -66.1 114.97 5.64 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.8 t -89.83 -31.33 17.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.306 -178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -148.1 140.66 24.5 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.628 -0.508 . . . . 25.0 109.628 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.4 p -143.44 110.61 5.72 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 104.709 -2.33 . . . . 25.0 104.709 172.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.4 t -127.11 147.65 50.17 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 105.718 -1.956 . . . . 25.0 105.718 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 1.3 m -148.75 169.22 20.92 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.803 0.668 . . . . 25.0 112.803 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HB2' ' H ' ' A' ' 96' ' ' PHE . 9.3 mm100 -115.93 158.2 23.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.646 -1.161 . . . . 25.0 108.64 176.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -86.42 151.52 23.46 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 95' ' ' ALA . . . . . . . . 0 C--O 1.246 0.912 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 119.294 -0.384 . . . . 25.0 110.153 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -147.55 149.48 34.18 Favored Pre-proline 0 C--O 1.237 0.405 0 N-CA-C 105.525 -2.028 . . . . 25.0 105.525 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -70.83 158.97 54.09 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 117.233 -1.378 . . . . 25.0 112.683 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.8 176.71 16.79 Favored Glycine 0 C--O 1.227 -0.304 0 N-CA-C 111.398 -0.681 . . . . 25.0 111.398 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -152.29 159.57 32.58 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -66.1 143.25 71.01 Favored 'Trans proline' 0 C--O 1.24 0.597 0 C-N-CA 115.333 -2.644 . . . . 25.0 113.139 -177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -77.45 153.46 30.86 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 118.529 -0.514 . . . . 25.0 112.863 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -80.7 -18.63 47.27 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.671 -0.492 . . . . 25.0 109.671 176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 56.2 mt 63.91 25.27 13.93 Favored 'General case' 0 CA--C 1.462 -2.42 0 N-CA-C 113.614 0.968 . . . . 25.0 113.614 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.2 t -145.84 150.35 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.294 0 N-CA-C 103.539 -2.763 . . . . 50.0 103.539 167.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.33 -170.76 43.41 Favored Glycine 0 N--CA 1.449 -0.457 0 N-CA-C 106.383 -2.687 . . . . 25.0 106.383 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.51 -176.33 29.44 Favored Glycine 0 C--O 1.239 0.432 0 N-CA-C 109.686 -1.365 . . . . 25.0 109.686 179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 55' ' ' GLN . 85.8 Cg_endo -74.41 145.03 33.34 Favored 'Trans proline' 0 C--N 1.342 0.233 0 CA-C-N 119.186 1.493 . . . . 25.0 112.932 178.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.9 ptm -148.65 155.57 41.23 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.728 -1.212 . . . . 25.0 107.728 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.12 143.85 26.89 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.66 158.3 25.77 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 107.496 -1.298 . . . . 25.0 107.496 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 155.93 39.52 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' HA ' HG11 ' A' ' 23' ' ' VAL . 6.0 m -67.85 -20.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.393 0.616 . . . . 50.0 109.81 -178.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -70.77 -25.66 62.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.917 -1.038 . . . . 25.0 111.358 177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . 0.276 0.6 OUTLIER -55.21 137.45 47.15 Favored 'General case' 0 CA--C 1.448 -2.974 1 N-CA-C 122.34 4.2 . . . . 25.0 122.34 176.964 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.86 -34.44 74.6 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 112.475 -2.148 . . . . 25.0 112.206 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.73 77.74 Favored Glycine 0 C--O 1.222 -0.596 0 CA-C-N 115.377 -0.829 . . . . 25.0 111.144 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 18' ' ' VAL . 71.4 t -88.39 -54.55 7.67 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 CA-C-O 118.818 -0.61 . . . . 50.0 111.922 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mtm105 -50.7 -44.87 58.16 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 113.915 1.079 . . . . 25.0 113.915 -176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -28.7 68.4 Favored 'General case' 0 C--O 1.201 -1.45 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.52 -35.49 21.1 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 107.961 -1.125 . . . . 25.0 107.961 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.4 mt -62.57 -58.93 5.78 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -66.04 -33.59 76.14 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -65.42 -47.96 74.43 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 107.875 -1.157 . . . . 25.0 107.875 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.8 79.21 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.789 1.403 . . . . 25.0 114.789 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 31' ' ' VAL 0.264 1.1 t -77.22 -36.45 24.27 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 105.58 -2.007 . . . . 50.0 105.58 -174.347 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -64.21 -34.54 90.2 Favored Glycine 0 C--O 1.211 -1.308 0 N-CA-C 107.669 -2.172 . . . . 25.0 107.669 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 55.8 tt0 -85.67 -28.9 24.41 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 122.159 0.981 . . . . 25.0 112.02 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -87.47 -62.98 1.38 Allowed 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 115.806 1.78 . . . . 25.0 115.806 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -83.98 -54.85 4.57 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-N 112.271 -2.24 . . . . 25.0 111.067 -170.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 1.0 OUTLIER -68.85 -31.08 69.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.604 -178.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.01 -32.16 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.431 -0.952 . . . . 25.0 108.431 -178.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.6 m -77.16 156.05 31.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.784 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -90.11 54.97 2.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.561 0.696 . . . . 25.0 109.497 178.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -66.42 131.77 46.8 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.566 0.698 . . . . 25.0 109.687 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -70.15 -15.03 62.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 25.0 111.59 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -123.98 163.79 20.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.88 -0.415 . . . . 25.0 109.88 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -81.41 112.46 18.7 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.113 -1.81 . . . . 25.0 106.113 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.7 m -117.53 144.11 45.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.439 -0.949 . . . . 25.0 108.439 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -146.45 161.53 40.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.264 -0.425 . . . . 25.0 110.581 -174.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.565 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -73.99 102.18 4.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 100.296 -3.964 . . . . 25.0 100.296 165.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.06 -50.46 54.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 CA-C-O 121.809 0.814 . . . . 25.0 110.447 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -143.63 121.67 12.12 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 113.872 -1.513 . . . . 25.0 109.736 -169.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.567 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -81.98 126.57 39.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 N-CA-C 106.209 -1.775 . . . . 50.0 106.209 175.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.8 t -84.61 -45.33 17.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 106.572 -1.64 . . . . 50.0 106.572 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -146.21 147.01 31.0 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.933 -0.576 . . . . 25.0 109.857 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.66 120.46 13.48 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.04 165.25 22.59 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 113.537 0.939 . . . . 25.0 113.537 -171.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.27 140.91 21.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.53 -1.668 . . . . 25.0 109.842 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 4.6 tm0? -98.75 129.39 45.18 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mt -100.19 139.66 21.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.35 -0.981 . . . . 25.0 108.35 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.15 -155.68 26.24 Favored Glycine 0 C--O 1.227 -0.298 0 N-CA-C 108.763 -1.735 . . . . 25.0 108.763 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.97 -23.89 63.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 117.467 0.634 . . . . 25.0 109.358 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.76 163.29 17.43 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 104.144 -3.582 . . . . 25.0 104.144 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -128.15 129.85 69.49 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 CA-C-N 118.416 1.108 . . . . 50.0 108.42 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -127.12 117.0 21.53 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.111 -0.368 . . . . 25.0 110.284 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -91.78 137.93 31.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.251 -0.648 . . . . 25.0 109.251 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -122.29 132.37 54.38 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 104.736 -2.32 . . . . 25.0 104.736 174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -127.44 131.36 50.25 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -121.54 130.23 53.4 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 123.483 1.611 . . . . 25.0 107.382 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.567 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -144.06 143.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.283 0 N-CA-C 121.476 3.88 . . . . 50.0 121.476 -165.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -92.18 129.64 38.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 113.343 -1.753 . . . . 25.0 109.464 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 150.92 22.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.253 1.025 . . . . 25.0 111.505 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.63 -178.95 44.9 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 104.136 -3.586 . . . . 25.0 104.136 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -123.93 144.19 49.93 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.23 -1.026 . . . . 25.0 108.23 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 58.6 p -95.47 142.84 27.36 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.626 -0.509 . . . . 25.0 109.626 -178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.5 p -77.97 -21.29 51.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.146 0.498 . . . . 25.0 110.385 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.4 p -99.7 179.36 4.56 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.788 0.804 . . . . 25.0 111.549 178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.9 p -117.2 169.28 9.58 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.889 -1.05 . . . . 25.0 111.577 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -60.46 -24.05 64.93 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 115.595 1.702 . . . . 25.0 115.595 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.277 0.8 OUTLIER -104.69 -14.87 15.44 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 118.07 2.619 . . . . 25.0 118.07 -179.764 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.37 153.29 69.59 Favored Pre-proline 0 C--N 1.298 -1.648 0 CA-C-N 112.525 -2.125 . . . . 25.0 114.256 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.0 17.38 1.02 Allowed 'Trans proline' 0 CA--C 1.538 0.675 0 C-N-CA 122.666 2.244 . . . . 25.0 117.6 -173.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -131.73 32.96 4.05 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.3 1.593 . . . . 25.0 115.3 -174.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.64 -15.93 13.89 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 118.76 2.874 . . . . 25.0 118.76 -176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.47 -42.22 10.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 119.983 1.265 . . . . 25.0 111.479 176.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -88.39 -34.5 17.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 114.123 1.157 . . . . 25.0 114.123 -172.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -55.67 38.5 Favored Pre-proline 0 C--N 1.321 -0.673 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.379 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 72.8 Cg_endo -68.57 -25.66 34.53 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 113.491 -3.872 . . . . 25.0 113.489 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.66 -38.62 81.96 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.103 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -83.18 -27.5 30.0 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 21.1 m-20 -68.89 -37.56 79.1 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 121.754 -0.591 . . . . 25.0 112.019 -177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -54.44 -57.23 19.61 Favored Pre-proline 0 C--N 1.323 -0.556 0 C-N-CA 119.277 -0.969 . . . . 25.0 111.876 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.36 -20.1 37.15 Favored 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 114.738 -3.042 . . . . 25.0 115.039 176.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 87' ' ' ASP . 17.2 t-160 -66.82 -38.92 87.38 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.742 -0.599 . . . . 25.0 109.801 176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.58 103.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.455 0.645 . . . . 25.0 111.409 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -32.38 60.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.426 -0.953 . . . . 25.0 108.426 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -87.53 134.68 33.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.705 -1.591 . . . . 25.0 106.705 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -116.38 110.03 18.13 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 106.646 -1.613 . . . . 25.0 106.646 171.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.13 141.18 28.88 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 103.72 -2.696 . . . . 25.0 103.72 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -122.46 139.5 53.8 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 84.0 m -133.15 157.04 46.34 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.234 -0.893 . . . . 25.0 111.612 -179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -129.74 128.69 42.97 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 175.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -121.42 137.4 54.73 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -130.26 122.44 28.02 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.7 mt -117.78 118.09 57.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -90.29 126.11 35.73 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 106.185 -1.783 . . . . 25.0 106.185 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -104.79 135.91 45.28 Favored 'General case' 0 CA--C 1.49 -1.335 0 N-CA-C 105.792 -1.929 . . . . 25.0 105.792 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.1 t -101.19 103.0 23.09 Favored Pre-proline 0 N--CA 1.436 -1.154 1 N-CA-C 94.809 -5.997 . . . . 50.0 94.809 -173.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.1 -24.91 12.21 Favored 'Trans proline' 0 N--CA 1.455 -0.742 1 C-N-CA 106.763 -8.358 . . . . 25.0 113.982 -169.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -62.19 -34.03 75.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.735 -1.12 . . . . 25.0 112.415 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -97.69 -3.39 39.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.555 -0.748 . . . . 25.0 111.656 -176.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.38 24.14 75.01 Favored Glycine 0 N--CA 1.461 0.341 0 CA-C-O 122.303 0.946 . . . . 25.0 112.259 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.94 167.37 14.79 Favored 'General case' 0 CA--C 1.501 -0.942 0 C-N-CA 124.241 1.017 . . . . 25.0 108.966 -175.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.438 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 26.2 ptt? -148.28 157.27 43.39 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 170.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.6 m -139.27 139.46 37.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.3 0.64 . . . . 25.0 110.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -65.27 112.88 3.66 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.395 0.617 . . . . 25.0 109.38 175.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.1 t -85.01 -25.77 27.47 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.502 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.69 145.75 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.764 0.316 . . . . 25.0 110.547 178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.29 115.73 8.07 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 105.626 -1.99 . . . . 25.0 105.626 172.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.6 t -132.53 145.3 51.04 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 105.655 -1.979 . . . . 25.0 105.655 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.71 169.24 22.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -174.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -121.47 155.27 35.28 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 105.703 -1.962 . . . . 25.0 105.703 174.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -86.2 151.47 23.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.246 0.461 . . . . 25.0 112.246 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.352 0 CA-C-O 117.353 -1.308 . . . . 25.0 108.112 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 119.412 -0.328 . . . . 25.0 110.241 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.0 t -70.56 144.3 91.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.19 166.19 30.63 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 117.242 -1.372 . . . . 25.0 110.805 175.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.08 -165.12 48.64 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 120.707 -0.758 . . . . 25.0 111.453 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -146.63 146.74 27.92 Favored Pre-proline 0 N--CA 1.468 0.462 0 N-CA-C 106.441 -1.688 . . . . 25.0 106.441 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.68 163.28 37.7 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 116.99 -1.54 . . . . 25.0 110.737 177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -67.65 141.91 56.59 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 115.699 -2.4 . . . . 25.0 110.603 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -130.4 70.5 1.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.478 0.656 . . . . 25.0 111.433 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.33 132.83 34.75 Favored 'General case' 0 CA--C 1.482 -1.667 0 CA-C-O 122.647 1.213 . . . . 25.0 108.1 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 80.7 t -139.16 136.59 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.371 0 CA-C-N 112.113 -2.312 . . . . 50.0 106.522 -171.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.03 -139.98 3.81 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 110.336 -1.106 . . . . 25.0 110.336 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.29 52.8 3.49 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 117.515 1.766 . . . . 25.0 117.515 177.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -72.89 142.39 35.0 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 113.776 -3.682 . . . . 25.0 110.897 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.2 ptm -147.28 147.23 30.17 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.52 142.68 29.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.504 -1.665 . . . . 25.0 106.504 175.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.03 158.64 26.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 106.652 -1.61 . . . . 25.0 106.652 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.82 155.64 38.59 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.802 -1.555 . . . . 25.0 106.802 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 ' HA ' HG11 ' A' ' 23' ' ' VAL . 16.0 m -66.14 -17.66 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.737 0.78 . . . . 50.0 110.588 -179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -77.96 -23.04 48.6 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.51 -1.223 . . . . 25.0 111.649 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.43 144.55 25.25 Favored 'General case' 0 CA--C 1.455 -2.704 0 N-CA-C 121.397 3.851 . . . . 25.0 121.397 177.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -61.22 -37.73 84.08 Favored 'General case' 0 N--CA 1.416 -2.161 0 CA-C-N 113.082 -1.872 . . . . 25.0 110.776 -175.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.23 -22.86 78.54 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 114.379 -1.282 . . . . 25.0 112.187 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 18' ' ' VAL . 91.1 t -87.41 -50.01 14.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 CA-C-N 118.01 0.905 . . . . 50.0 110.715 177.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.3 mtm-85 -50.93 -43.47 60.05 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 119.845 1.202 . . . . 25.0 113.522 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -25.75 68.23 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 113.18 0.807 . . . . 25.0 113.18 178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.23 -37.51 20.0 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.61 -62.58 1.63 Allowed 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -67.96 -32.07 72.24 Favored 'General case' 0 CA--C 1.499 -1.001 0 O-C-N 123.846 0.716 . . . . 25.0 109.71 -170.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -66.46 -47.99 71.35 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.079 -1.082 . . . . 25.0 108.079 178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.33 -48.2 79.58 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 113.766 1.025 . . . . 25.0 113.766 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . 0.288 1.2 t -72.8 -39.12 59.02 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.141 0 N-CA-C 106.453 -1.684 . . . . 50.0 106.453 -173.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA2' ' HB3' ' A' ' 36' ' ' LYS . . . -63.35 -37.08 94.28 Favored Glycine 0 N--CA 1.437 -1.282 0 N-CA-C 107.971 -2.052 . . . . 25.0 107.971 -175.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 8.9 tt0 -85.19 -28.4 25.47 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 122.266 1.032 . . . . 25.0 112.032 -176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -87.01 -62.77 1.43 Allowed 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -83.94 -52.01 6.69 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 112.869 -1.968 . . . . 25.0 112.037 -171.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' HB3' ' HA2' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -70.99 -30.73 67.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 25.0 109.641 -178.345 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 33' ' ' GLU . . . -72.6 -31.98 65.6 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 -179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.3 t -79.49 159.45 26.94 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.441 -0.799 . . . . 25.0 111.032 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -99.87 55.43 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.42 0.629 . . . . 25.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -64.79 130.08 42.18 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.666 -0.864 . . . . 25.0 108.666 178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.5 mmt -68.09 -23.98 65.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.716 -0.675 . . . . 25.0 110.646 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -106.59 160.74 15.21 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -84.43 112.34 20.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.908 -1.515 . . . . 25.0 106.908 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.9 m -130.02 146.01 51.68 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.971 -1.122 . . . . 25.0 107.971 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 ptp85 -159.59 170.76 20.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 106.857 -1.535 . . . . 25.0 106.857 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -65.49 102.43 0.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 104.685 -2.339 . . . . 25.0 104.685 171.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -76.57 -45.73 29.24 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-O 122.055 0.931 . . . . 25.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -143.09 122.03 12.76 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 113.821 -1.536 . . . . 25.0 108.719 -171.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.643 HG22 HG23 ' A' ' 66' ' ' VAL . 2.2 t -84.32 128.43 38.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 107.388 -1.338 . . . . 50.0 107.388 176.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.5 t -85.28 -44.74 17.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 107.36 -1.348 . . . . 50.0 107.36 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -143.28 139.61 30.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.146 -0.479 . . . . 25.0 110.107 -177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.24 114.98 13.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 105.631 -1.989 . . . . 25.0 105.631 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG2' ' HB2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -152.45 162.15 41.59 Favored 'General case' 0 CA--C 1.485 -1.526 0 CA-C-O 121.842 0.829 . . . . 25.0 111.052 -174.626 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.86 149.18 34.93 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.572 -1.195 . . . . 25.0 113.046 -177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -98.5 140.65 32.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 105.81 -1.922 . . . . 25.0 105.81 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -118.77 138.76 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-O 121.12 0.486 . . . . 25.0 112.01 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.95 -155.44 26.23 Favored Glycine 0 C--O 1.225 -0.414 0 C-N-CA 121.011 -0.614 . . . . 25.0 111.569 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.28 8.32 4.22 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.166 0.984 . . . . 25.0 109.732 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.64 135.82 5.35 Favored Glycine 0 N--CA 1.442 -0.911 1 N-CA-C 99.843 -5.303 . . . . 25.0 99.843 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 50.4 t -126.63 138.76 53.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.753 0 N-CA-C 105.169 -2.16 . . . . 50.0 105.169 -176.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.17 117.67 13.8 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.25 -0.648 . . . . 25.0 109.25 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -91.72 111.28 22.73 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.481 ' HB2' ' HG2' ' A' ' 53' ' ' ARG . 88.2 m-85 -98.45 116.39 30.57 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.712 -2.329 . . . . 25.0 104.712 177.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -124.25 116.76 23.18 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -114.48 137.36 51.95 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-O 123.914 1.816 . . . . 25.0 110.042 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.643 HG23 HG22 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -143.11 146.74 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 109.937 -3.302 . . . . 50.0 118.548 -166.425 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -107.69 127.55 53.77 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 105.681 -1.97 . . . . 25.0 105.681 177.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.17 158.87 15.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 122.24 1.019 . . . . 25.0 113.413 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -172.03 171.74 44.35 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 105.345 -3.102 . . . . 25.0 105.345 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.7 mtt-85 -127.89 146.74 50.53 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.056 -1.09 . . . . 25.0 108.056 -177.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 p -112.26 145.61 39.66 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.945 -0.391 . . . . 25.0 109.945 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.2 p -77.09 -19.44 57.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.822 1.415 . . . . 25.0 114.822 -175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -122.51 169.28 11.16 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 115.169 1.544 . . . . 25.0 115.169 -175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.521 ' H ' ' HG3' ' A' ' 77' ' ' GLN . 3.2 p -104.93 171.41 7.33 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 114.181 -1.372 . . . . 25.0 112.083 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -64.42 -15.0 59.82 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 115.371 1.619 . . . . 25.0 115.371 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.84 -15.09 14.18 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 118.405 2.743 . . . . 25.0 118.405 179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG3' ' H ' ' A' ' 74' ' ' THR . 19.5 mm-40 -53.1 150.7 10.24 Favored Pre-proline 0 C--N 1.299 -1.601 0 CA-C-N 112.226 -2.261 . . . . 25.0 112.353 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -73.6 0.64 7.87 Favored 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 121.624 1.549 . . . . 25.0 116.12 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -128.13 47.7 2.38 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.384 1.253 . . . . 25.0 114.384 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.38 -13.94 53.74 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 115.616 1.709 . . . . 25.0 115.616 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.35 -41.86 13.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.251 1.024 . . . . 25.0 109.235 176.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -82.42 -37.94 24.76 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 115.558 1.688 . . . . 25.0 115.558 -173.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 68.8 m -63.15 -55.64 35.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 C-N-CA 119.438 -0.905 . . . . 25.0 111.046 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.435 ' HA ' ' HB2' ' A' ' 87' ' ' ASP . 60.0 Cg_endo -66.41 -26.55 47.84 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 113.899 -3.601 . . . . 25.0 113.685 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -60.3 -40.37 90.23 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 118.011 0.369 . . . . 25.0 110.935 175.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -84.54 -27.86 27.05 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.394 0.887 . . . . 25.0 113.394 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 81.7 m-20 -68.1 -46.14 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.072 -0.392 . . . . 25.0 110.752 -178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -55.81 -50.9 84.49 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.61 -18.82 42.69 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 114.592 -3.138 . . . . 25.0 114.402 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -77.52 -35.43 53.43 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.198 0.523 . . . . 25.0 110.691 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 87.8 2.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.767 0.794 . . . . 25.0 111.429 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -124.84 7.19 8.07 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.627 -0.715 . . . . 25.0 112.267 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.94 121.15 25.65 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 103.658 -2.719 . . . . 25.0 103.658 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.04 109.79 16.69 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.478 -0.934 . . . . 25.0 108.478 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.13 118.03 19.92 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.507 -1.664 . . . . 25.0 106.507 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -116.69 139.46 50.52 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 115.072 1.508 . . . . 25.0 115.072 -175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 117' ' ' CYS . 73.5 m -110.61 151.56 27.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.681 -1.6 . . . . 25.0 110.869 173.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.1 m -129.9 113.04 14.14 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.546 -1.279 . . . . 25.0 107.546 172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -106.72 135.48 48.17 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.558 -1.275 . . . . 25.0 107.558 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -128.51 109.97 11.86 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 mt -103.53 117.39 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -90.19 121.04 31.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 178.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 110' ' ' MET . . . -100.1 135.64 41.22 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 104.851 -2.277 . . . . 25.0 104.851 178.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.19 103.33 34.01 Favored Pre-proline 0 N--CA 1.436 -1.16 1 N-CA-C 95.859 -5.608 . . . . 50.0 95.859 -172.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.47 -21.4 15.04 Favored 'Trans proline' 0 N--CA 1.452 -0.946 1 C-N-CA 106.871 -8.286 . . . . 25.0 113.62 -172.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.31 -15.6 57.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.948 1.092 . . . . 25.0 113.948 -176.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -123.45 -2.64 8.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 25.0 111.544 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.58 16.97 76.11 Favored Glycine 0 N--CA 1.461 0.343 0 CA-C-O 122.007 0.782 . . . . 25.0 111.937 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.2 p -111.21 167.49 10.24 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 123.676 0.79 . . . . 25.0 109.184 -176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' MET . . . . . 0.466 ' HA ' ' HA ' ' A' ' 103' ' ' ALA . 17.3 ptt? -148.35 157.53 43.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.669 -1.234 . . . . 25.0 107.669 169.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 50.0 m -143.7 138.19 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.071 0.548 . . . . 25.0 110.291 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 115' ' ' SER . 25.9 tp -65.44 114.03 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.5 t -86.88 -28.85 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 25.0 111.194 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -153.7 141.18 19.78 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.63 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.462 ' HB3' HD21 ' A' ' 112' ' ' LEU . 20.0 p -140.11 120.85 14.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 104.842 -2.281 . . . . 25.0 104.842 170.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.3 t -137.08 149.52 47.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 104.76 -2.311 . . . . 25.0 104.76 176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 97' ' ' CYS . 5.3 m -153.14 169.47 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.473 0.483 . . . . 25.0 111.534 -176.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -128.01 148.68 50.54 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.329 -1.73 . . . . 25.0 106.329 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.09 151.5 25.73 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.86 -1.067 . . . . 25.0 110.078 -179.463 . . . . . . . . 0 0 . 1 stop_ save_