data_6vpn_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 6vpn _Structure_validation_residue.Date_analyzed 2020-08-21 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 ' 2' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -107.08 160.26 15.7 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.46 120.7 9.54 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.579 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -130.04 164.26 24.71 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.472 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.89 138.2 54.48 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . . . -70.54 115.51 9.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.04 -39.05 30.64 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.19 -0.604 . . . . 0.0 112.492 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.491 HG21 ' NE2' ' A' ' 23' ' ' HIS . 9.7 t -86.67 11.78 12.17 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.285 0.564 . . . . 0.0 111.014 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -100.95 98.19 8.69 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.64 119.4 39.04 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.23 174.45 13.67 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -84.86 157.34 11.74 Favored 'Trans proline' 0 N--CA 1.444 -1.396 0 C-N-CA 122.763 2.309 . . . . 0.0 112.226 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 t -86.0 110.28 19.37 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.199 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -97.82 -24.32 15.49 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.499 0.666 . . . . 0.0 110.064 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -141.12 121.78 14.27 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.6 m -59.71 -35.2 74.04 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.0 88.36 Favored Glycine 0 CA--C 1.521 0.429 0 O-C-N 123.271 0.357 . . . . 0.0 112.306 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -65.39 -45.69 83.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.84 0.829 . . . . 0.0 110.551 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.21 -46.75 88.67 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.696 1.199 . . . . 0.0 109.729 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.491 ' NE2' HG21 ' A' ' 9' ' ' THR . 36.0 t60 -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.874 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.28 -33.51 75.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.71 -46.17 32.64 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.33 -52.74 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.088 0.774 . . . . 0.0 113.088 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.44 -50.49 10.02 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -80.45 -17.07 52.81 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.26 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.9 t60 66.85 31.33 7.34 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 122.371 1.082 . . . . 0.0 110.297 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.03 -171.62 1.95 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.047 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 46.8 ttt180 -71.77 -57.53 4.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.9 m -156.64 178.94 9.76 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -138.54 135.59 7.52 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -126.09 139.53 53.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.8 m -93.52 136.31 33.92 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.17 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 mmm180 -87.47 171.58 10.43 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.582 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.29 -27.7 68.13 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.671 0.748 . . . . 0.0 109.647 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.61 8.08 10.66 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.939 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.28 2.34 3.96 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.862 1.665 . . . . 0.0 114.523 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -88.88 151.2 22.49 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.775 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -91.78 122.04 33.96 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.487 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -108.44 118.87 37.91 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 172.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 7' ' ' ALA . 55.9 m -93.03 122.18 35.14 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.601 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 10.6 m -79.69 130.69 35.57 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -131.52 158.5 40.77 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -88.26 151.41 22.67 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.293 -1.891 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.292 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.415 -2.204 0 CA-C-O 121.793 0.806 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -120.95 166.01 14.42 Favored 'General case' 0 C--N 1.267 -3.019 0 CA-C-N 114.501 -1.227 . . . . 0.0 107.925 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -131.87 134.24 45.5 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.359 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -142.06 160.82 39.45 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.38 144.25 57.3 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.115 0.483 . . . . 0.0 111.057 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.92 113.81 11.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.39 -42.19 23.26 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.085 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -69.99 -34.32 73.18 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.594 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -80.99 92.84 6.25 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -92.26 83.87 5.12 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.109 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.25 -179.7 36.51 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.702 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.78 159.62 12.09 Favored 'Trans proline' 0 N--CA 1.444 -1.383 0 C-N-CA 122.974 2.449 . . . . 0.0 111.75 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.5 t -85.52 98.8 10.83 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.705 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -80.78 -35.99 32.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.563 0.697 . . . . 0.0 109.415 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -131.85 123.15 26.94 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.637 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 39.2 m -59.86 -38.45 82.18 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.477 0.486 . . . . 0.0 111.686 -176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.3 -42.78 97.51 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.647 0.592 . . . . 0.0 111.697 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -63.5 -45.29 91.34 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.468 0.707 . . . . 0.0 111.264 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.97 -48.17 72.14 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.784 0.802 . . . . 0.0 110.166 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 31.0 t70 -58.69 -46.12 87.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.949 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.72 -45.93 92.35 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.49 -49.93 75.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.034 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -69.73 -33.57 72.66 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.6 ptpt -80.15 -33.62 38.32 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.647 -0.821 . . . . 0.0 113.095 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.2 -60.7 1.86 Allowed 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -67.09 -48.55 67.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.791 0.329 . . . . 0.0 111.639 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.38 -10.21 50.09 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 60.61 29.74 19.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.398 1.079 . . . . 0.0 110.449 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.35 179.68 6.84 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.252 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.407 ' C ' ' HG ' ' A' ' 32' ' ' SER . 20.7 ttt180 -66.8 -57.23 7.46 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.116 0.484 . . . . 0.0 110.075 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.407 ' HG ' ' C ' ' A' ' 31' ' ' ARG . 60.9 m -160.45 168.27 25.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.38 126.33 6.61 Favored Glycine 0 CA--C 1.489 -1.592 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.9 140.73 48.75 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.905 0.859 . . . . 0.0 110.96 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.637 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 54.2 m -100.21 115.65 30.38 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.897 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.562 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 17.8 mmm180 -74.31 169.62 17.26 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.671 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.22 -9.43 58.61 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.137 0.97 . . . . 0.0 109.673 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.92 -8.19 59.59 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.185 -1.37 . . . . 0.0 107.857 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 68.87 3.94 4.22 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.184 1.794 . . . . 0.0 113.624 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -92.71 156.7 16.87 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 55.6 m -91.48 118.49 30.61 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -111.14 112.66 24.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.18 133.93 51.75 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-O 121.315 0.579 . . . . 0.0 110.878 -174.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 m -79.6 117.85 20.9 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.696 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.29 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.294 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -99.89 121.79 41.86 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.641 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.281 -2.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.075 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.413 -2.279 0 CA-C-O 121.18 0.514 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -115.47 172.03 7.35 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.992 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 125.63 16.84 Favored 'General case' 0 N--CA 1.425 -1.717 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.45 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -134.07 164.59 27.0 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.71 138.73 58.34 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 123.513 0.508 . . . . 0.0 112.22 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 132.76 53.67 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.59 -50.69 6.64 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 123.421 0.451 . . . . 0.0 111.732 -172.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.253 71.0 p -92.44 -14.93 27.83 Favored 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 118.175 -1.41 . . . . 0.0 113.273 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 46.7 t80 -83.95 92.95 7.94 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -99.97 115.43 29.66 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.033 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.08 176.62 14.62 Favored Glycine 0 N--CA 1.419 -2.441 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.23 159.85 29.7 Favored 'Trans proline' 0 N--CA 1.442 -1.503 0 C-N-CA 122.627 2.218 . . . . 0.0 111.984 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 44.3 t -94.89 114.12 25.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.237 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -100.81 -31.64 11.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -133.71 113.66 12.58 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.445 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 13.2 t -64.83 -27.83 69.14 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.492 -174.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.96 82.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -72.93 -42.54 63.37 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.24 -48.68 77.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.72 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.14 -46.06 89.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.856 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.79 -50.32 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 17.6 t60 -61.85 -44.31 97.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -65.86 -28.2 68.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 90.3 mttt -80.25 -49.35 11.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.037 0.446 . . . . 0.0 110.921 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -77.66 -49.22 14.96 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -90.03 -50.08 6.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.205 0.526 . . . . 0.0 110.997 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.15 -16.22 56.95 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.689 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.9 m80 55.93 40.62 30.47 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.846 0.832 . . . . 0.0 112.527 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.6 mt -103.31 -178.2 3.59 Favored 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.09 -43.18 29.81 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -163.66 165.07 23.7 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.03 122.48 4.84 Favored Glycine 0 N--CA 1.438 -1.178 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -117.88 145.42 44.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.312 0.577 . . . . 0.0 109.882 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.6 m -109.39 121.18 44.61 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -85.99 -179.61 6.81 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -75.0 -2.91 29.39 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.735 0.779 . . . . 0.0 110.544 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.06 -10.04 57.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 72.58 -0.44 3.31 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.078 1.751 . . . . 0.0 113.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -93.67 152.9 18.67 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.35 118.11 20.96 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.14 109.6 20.17 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 171.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.2 137.55 43.95 Favored 'General case' 0 C--N 1.276 -2.595 0 CA-C-O 121.372 0.606 . . . . 0.0 111.447 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -78.88 126.81 31.2 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.9 -175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.13 147.79 48.86 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.536 -176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -84.69 123.74 30.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.993 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 p -144.63 145.1 31.6 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.09 0.471 . . . . 0.0 110.473 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.604 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 24.1 tt0 -89.63 110.47 21.34 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -133.85 150.19 51.38 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.054 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -46.53 135.78 8.18 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.62 127.75 32.83 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.74 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -84.9 -50.41 7.54 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.662 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 m -81.43 -31.5 33.08 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.607 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 40.0 t80 -80.73 94.65 6.42 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -96.12 16.76 17.2 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.38 0.61 . . . . 0.0 112.552 -174.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.67 173.9 15.0 Favored Glycine 0 C--N 1.28 -2.539 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.395 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -75.45 157.74 40.74 Favored 'Trans proline' 0 C--O 1.253 1.241 0 C-N-CA 122.614 2.209 . . . . 0.0 110.782 172.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.0 t -100.89 132.53 46.25 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.667 179.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.81 -61.72 1.33 Allowed 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -98.96 123.75 43.46 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.727 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 85.3 m -54.52 -42.2 70.56 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.897 0.38 . . . . 0.0 111.809 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.68 -22.61 66.29 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.818 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -77.78 -40.37 41.0 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 120.875 0.369 . . . . 0.0 110.094 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -77.08 -34.96 56.94 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.95 -45.82 89.54 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.99 -41.02 86.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.323 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 23.0 t60 -67.02 -47.97 69.79 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.0 mmtt -72.74 -53.07 12.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.126 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -81.87 -51.63 7.91 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.73 -48.11 9.13 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.013 -175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -79.96 -20.58 45.23 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.417 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.0 m80 61.02 31.92 19.88 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.675 0.79 . . . . 0.0 110.915 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 44' ' ' THR . 78.9 mt -90.65 177.05 6.45 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.913 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -65.88 -42.01 90.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.193 0.308 . . . . 0.0 110.841 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -172.72 176.02 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.036 0.534 . . . . 0.0 110.128 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.39 130.23 5.33 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 56.9 mtp180 -120.48 137.02 54.58 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.929 0.871 . . . . 0.0 111.967 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.727 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.2 m -100.46 105.44 16.91 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.859 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.336 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.17 -23.21 67.33 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.897 0.856 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.61 -15.39 63.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.173 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 73.87 -0.4 3.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 126.044 1.738 . . . . 0.0 111.153 -175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.01 148.48 22.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 98.1 m -90.52 120.34 31.54 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.6 m-90 -108.25 108.62 19.72 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -105.73 146.85 29.26 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.416 0.627 . . . . 0.0 111.525 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 2.4 m -78.97 108.52 12.5 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.175 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 175.22 8.45 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.962 0.411 . . . . 0.0 111.003 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.61 137.61 36.26 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.982 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.279 -2.487 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.642 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.411 -2.385 0 CA-C-O 121.68 0.753 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.606 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 6.8 p -111.03 114.55 27.93 Favored 'General case' 0 C--N 1.275 -2.657 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 11.1 tt0 -90.17 110.24 21.28 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -128.94 148.49 50.94 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.976 -168.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.64 140.5 41.04 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.89 104.53 16.59 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.427 -1.261 . . . . 0.0 108.355 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.52 -26.85 37.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.572 0.701 . . . . 0.0 109.445 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -38.5 79.02 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.264 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -87.03 79.76 8.6 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -85.0 108.48 17.62 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.848 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.38 158.72 8.48 Favored Glycine 0 N--CA 1.416 -2.674 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -74.19 158.22 45.43 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 122.27 1.98 . . . . 0.0 111.18 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.8 t -83.08 98.53 9.35 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.97 -33.74 18.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.419 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 27.4 m -131.41 121.52 24.73 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 27.8 m -65.36 -35.44 80.97 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.6 73.78 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.948 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 11.9 p -71.51 -34.57 70.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 117.2 0.5 . . . . 0.0 111.619 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.68 -50.84 69.55 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.403 0.621 . . . . 0.0 109.632 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.26 -45.36 93.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.689 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.45 -44.16 96.12 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.637 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -62.36 -51.13 68.84 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 120.818 0.342 . . . . 0.0 110.137 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.36 -29.67 70.74 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 62.4 mtpt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -89.93 -40.97 12.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -90.11 -50.28 6.09 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -78.77 -19.81 51.35 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.945 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 m80 63.01 30.05 16.36 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.097 0.959 . . . . 0.0 111.47 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.4 mt -88.74 179.12 6.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.548 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -71.6 -44.85 63.7 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -164.42 165.36 21.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.84 122.95 4.89 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.04 136.01 53.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.92 0.867 . . . . 0.0 112.725 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 56.1 m -93.8 113.55 25.62 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.823 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -87.46 177.25 7.15 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.797 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -48.07 -37.12 14.4 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.592 1.557 . . . . 0.0 113.593 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -84.82 8.36 17.58 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 67.83 18.57 9.67 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.808 0.843 . . . . 0.0 111.963 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -93.6 152.69 18.85 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.622 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.84 105.16 17.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.799 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.451 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -101.68 103.66 14.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 173.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -95.5 141.33 29.16 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-O 121.341 0.591 . . . . 0.0 111.02 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -79.34 109.0 13.29 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.171 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.606 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 18.2 ptpt -118.36 171.86 7.85 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.476 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -100.61 125.37 46.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 120.983 0.421 . . . . 0.0 111.45 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.289 -2.065 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.622 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -125.74 125.38 42.89 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.94 109.32 20.35 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -134.83 150.09 50.44 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.63 137.91 58.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.13 139.34 50.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.683 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.32 -47.65 4.86 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.713 -174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -75.82 -20.68 57.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.002 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -74.0 128.04 34.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -115.92 139.39 50.28 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.615 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.41 -176.91 34.41 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.754 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.88 166.91 13.03 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 C-N-CA 122.705 2.27 . . . . 0.0 110.965 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 37.1 t -86.96 106.41 17.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.084 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.84 -55.61 3.49 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 m -108.49 110.84 22.44 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.4 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 11.8 t -62.32 -31.55 72.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.477 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.4 -39.81 97.24 Favored Glycine 0 N--CA 1.435 -1.405 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -69.89 -38.57 76.38 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 t -61.44 -47.57 85.14 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.457 0.646 . . . . 0.0 109.447 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -46.48 87.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.55 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.46 -42.86 99.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.158 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.6 m -68.03 -30.22 69.39 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.21 -41.17 61.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.868 0.365 . . . . 0.0 111.307 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.2 -60.13 2.09 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -81.13 -44.81 17.36 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 120.742 0.306 . . . . 0.0 111.555 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.09 -15.62 57.92 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.124 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 58.91 30.01 19.62 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.87 0.868 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -94.34 -172.09 2.69 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.686 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 33.6 ttt180 -84.72 -43.94 13.84 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 120.572 0.225 . . . . 0.0 110.626 -174.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -161.94 174.69 12.74 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.79 128.17 4.33 Favored Glycine 0 N--CA 1.435 -1.407 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -131.63 149.55 52.46 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.658 0.742 . . . . 0.0 110.606 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.4 m -111.48 121.01 44.07 Favored 'General case' 0 C--N 1.282 -2.339 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.157 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -85.69 175.35 8.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.989 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.53 -15.22 60.56 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 122.138 0.971 . . . . 0.0 111.096 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.03 -17.14 64.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.606 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 69.88 15.38 7.88 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.234 1.414 . . . . 0.0 111.165 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -105.44 147.13 28.6 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -82.11 114.17 20.47 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -105.91 113.43 26.98 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.9 m -109.57 140.19 43.67 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-O 121.613 0.721 . . . . 0.0 111.432 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -79.86 116.19 19.87 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.476 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -109.51 148.62 30.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.559 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.5 m-20 -83.6 126.99 33.41 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.011 0.434 . . . . 0.0 111.089 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.266 1.938 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.264 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 44' ' ' THR . 25.2 p . . . . . 0 N--CA 1.434 -1.273 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -140.18 149.08 42.51 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.67 127.25 56.06 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -142.59 160.47 40.23 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.6 137.87 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.98 131.59 46.18 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.524 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.68 -50.34 7.73 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.462 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 20.8 m -75.8 -24.83 55.95 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.823 -0.548 . . . . 0.0 110.823 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 30.2 t80 -82.92 80.02 9.11 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.907 0.86 . . . . 0.0 109.502 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -90.48 108.62 19.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.36 172.25 21.39 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.72 153.29 13.32 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 122.657 2.238 . . . . 0.0 110.858 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -89.02 114.32 25.51 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.698 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.6 -39.09 8.06 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -120.81 111.47 17.61 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 8.8 t -59.51 -33.74 71.73 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.42 -35.64 92.32 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.96 -42.61 89.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.265 0.555 . . . . 0.0 109.588 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.18 -49.12 75.52 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.189 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.09 -37.93 86.91 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.23 -51.02 63.58 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 41.7 t60 -59.75 -51.35 70.15 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.046 0.841 . . . . 0.0 110.888 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 90.4 m -63.42 -45.25 91.84 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -78.69 -35.58 44.84 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -90.62 -60.68 1.85 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -76.26 -44.07 38.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.862 0.363 . . . . 0.0 111.385 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.462 ' CD ' ' HG1' ' A' ' 9' ' ' THR . 5.9 mm-40 -79.05 -13.14 59.95 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.759 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 m80 57.16 43.55 23.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 123.872 0.869 . . . . 0.0 112.737 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.5 mt -101.23 -177.17 3.37 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -80.55 -49.26 11.57 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -154.69 162.38 41.15 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.45 130.66 4.68 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.44 153.35 50.13 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.808 0.813 . . . . 0.0 111.208 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.4 m -94.81 130.01 41.55 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.356 -177.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -104.61 -178.57 3.69 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.163 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.32 -44.94 11.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.847 1.659 . . . . 0.0 112.919 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -79.06 6.39 9.56 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.002 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 68.78 12.38 8.64 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 124.539 1.135 . . . . 0.0 111.756 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -98.22 154.08 18.03 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.9 m -88.04 118.08 27.35 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -103.17 115.93 31.51 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 171.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.9 m -120.32 136.7 54.6 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-O 121.414 0.626 . . . . 0.0 111.343 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 2' ' ' THR . 24.9 m -79.9 123.96 28.24 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.131 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -122.34 159.05 28.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.174 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -92.96 127.45 38.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.171 0.51 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.292 -1.928 0 C-N-CA 124.424 1.089 . . . . 0.0 108.865 -179.665 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.41 HG21 HH11 ' A' ' 31' ' ' ARG . 24.5 p . . . . . 0 N--CA 1.43 -1.437 0 CA-C-O 121.495 0.664 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.2 m -87.74 148.0 24.94 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.077 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' A' ' 34' ' ' ARG . 28.4 tt0 -116.68 109.68 17.49 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.85 136.98 53.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.299 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 136.05 57.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -80.53 112.66 18.1 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.232 176.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -72.4 -32.85 66.73 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -69.05 -29.02 67.07 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.271 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 35.9 t80 -85.88 83.15 7.89 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -92.69 88.72 6.37 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.1 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.47 171.98 26.02 Favored Glycine 0 N--CA 1.424 -2.16 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.59 150.91 22.04 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.725 2.284 . . . . 0.0 111.39 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 41.3 t -76.14 108.61 9.18 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.036 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.63 -27.6 14.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.581 0.705 . . . . 0.0 109.656 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -140.17 121.78 15.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.3 t -67.82 -31.02 70.59 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 120.722 0.296 . . . . 0.0 110.789 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.78 -36.56 93.51 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 m -70.16 -30.41 67.54 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.073 0.464 . . . . 0.0 109.819 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.14 -46.14 57.71 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.54 -51.28 69.17 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.714 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.69 -42.23 92.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.369 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.46 -55.68 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.639 0.776 . . . . 0.0 110.406 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.71 -29.51 70.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.035 0.445 . . . . 0.0 111.972 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 48.0 mtpt -80.13 -48.83 12.59 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -91.03 -33.61 15.45 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -87.82 -51.16 6.0 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.079 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -85.52 -14.74 45.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.636 -177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.504 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.3 m80 63.49 34.6 12.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.051 0.941 . . . . 0.0 111.53 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -103.95 -179.92 4.09 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.28 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.41 HH11 HG21 ' A' ' 2' ' ' THR . 68.5 ttt180 -57.64 -52.31 65.94 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.594 0.758 . . . . 0.0 111.905 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -169.37 -174.54 1.98 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.53 161.12 26.58 Favored Glycine 0 N--CA 1.43 -1.758 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 4' ' ' GLU . 5.1 ptp180 -155.66 147.48 23.2 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 117.305 0.553 . . . . 0.0 110.576 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.0 m -104.06 113.26 26.68 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.7 mmt180 -84.44 -179.27 7.13 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.46 -20.54 31.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.259 1.024 . . . . 0.0 113.319 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.24 13.94 8.72 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.255 -0.278 . . . . 0.0 111.478 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 50.1 27.39 2.51 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.922 1.689 . . . . 0.0 114.221 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -115.87 165.64 12.86 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 m -95.57 122.75 38.65 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 36' ' ' ARG . 5.3 m-90 -106.71 118.92 37.93 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.029 -1.441 . . . . 0.0 107.131 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 80.7 m -87.53 138.7 31.24 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 m -95.58 120.53 36.0 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -132.83 148.51 52.31 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.303 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.45 137.13 38.5 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 120.826 0.345 . . . . 0.0 111.014 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.291 -1.969 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.35 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.41 -2.473 0 CA-C-O 121.196 0.522 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.49 144.17 48.15 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.86 124.8 11.99 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.786 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -138.12 165.98 25.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.07 143.8 57.46 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.439 0.638 . . . . 0.0 111.638 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.85 124.36 27.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.787 175.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.18 -37.45 8.93 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.095 0.474 . . . . 0.0 110.065 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -68.98 -35.25 76.51 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.554 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -73.48 121.28 20.32 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -112.43 121.85 46.04 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.212 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.94 165.91 13.08 Favored Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.949 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.08 141.4 20.87 Favored 'Trans proline' 0 C--O 1.245 0.865 0 C-N-CA 122.435 2.09 . . . . 0.0 111.071 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 44.6 t -94.18 117.5 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 120.948 0.404 . . . . 0.0 110.586 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.97 -46.29 6.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -109.91 109.32 19.91 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.672 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 15.0 t -57.9 -33.59 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.89 -30.49 77.4 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.884 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -73.01 -37.55 66.9 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.974 0.416 . . . . 0.0 110.136 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -79.31 -32.05 43.35 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.5 t70 -57.94 -45.04 87.23 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.15 -46.48 88.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.532 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -59.99 -53.88 52.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.24 -31.22 72.32 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 44.7 mtmt -80.14 -35.29 36.86 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.948 -0.47 . . . . 0.0 111.314 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -90.08 -60.15 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -67.64 -50.09 59.7 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.556 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.49 -10.92 41.85 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 61.28 29.79 18.83 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 122.215 1.007 . . . . 0.0 110.421 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 45' ' ' LYS . 72.5 mt -87.66 -172.58 3.94 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.67 -0.644 . . . . 0.0 109.819 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 22.9 ttt180 -75.27 -51.42 13.32 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -168.55 176.16 5.85 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 141.99 13.37 Favored Glycine 0 N--CA 1.428 -1.898 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -140.09 120.09 13.62 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 122.079 0.942 . . . . 0.0 111.583 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 34.8 m -87.71 123.28 32.37 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 114.354 -1.294 . . . . 0.0 108.746 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -74.24 174.19 9.12 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.137 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.6 -19.25 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.293 0.568 . . . . 0.0 111.044 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.75 7.04 9.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.117 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 70.16 17.13 7.29 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.176 0.991 . . . . 0.0 112.05 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.14 133.36 45.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 66.9 m -80.03 108.3 13.5 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.693 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.25 115.26 29.96 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 170.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.6 m -107.0 123.66 48.51 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 121.923 0.868 . . . . 0.0 112.603 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -79.82 136.71 36.78 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.285 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB3' HD23 ' A' ' 30' ' ' LEU . 25.0 pttm -135.61 164.92 26.75 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.5 m-20 -99.19 140.89 32.68 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.002 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.418 -2.04 0 CA-C-O 120.984 0.421 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.14 145.3 27.33 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -148.88 116.31 6.17 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -173.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.02 164.94 26.5 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.865 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 68.1 mt -71.28 139.45 49.98 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.716 0.769 . . . . 0.0 112.42 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.03 103.9 15.81 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.972 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.36 -18.89 47.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m -76.42 -20.44 57.09 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.89 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.19 121.41 27.04 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -102.56 111.66 24.07 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.112 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.65 169.75 17.83 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.465 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.52 144.54 14.26 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.644 2.229 . . . . 0.0 109.837 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.64 124.32 32.79 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.245 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.39 -42.26 4.86 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.384 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -112.46 120.07 40.38 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.1 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.52 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 32.9 m -54.93 -40.08 69.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.097 0.559 . . . . 0.0 111.658 -176.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.85 -36.93 56.53 Favored Glycine 0 C--N 1.336 0.562 0 O-C-N 123.252 0.345 . . . . 0.0 113.72 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -66.0 -34.18 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.597 0.713 . . . . 0.0 110.317 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -87.56 -38.55 15.88 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.86 0.838 . . . . 0.0 109.772 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.98 -44.82 94.24 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.756 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.53 -41.1 98.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.763 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.02 -60.44 3.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.424 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.5 m -69.64 -24.45 63.63 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 43.4 mtmt -80.24 -40.95 26.01 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.807 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -90.08 -50.16 6.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -75.68 -50.74 14.5 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.182 0.515 . . . . 0.0 110.323 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -86.63 -15.31 40.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.568 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 t-80 60.08 39.33 19.84 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 122.408 1.099 . . . . 0.0 110.979 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -98.24 -174.8 2.94 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.104 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -70.3 -54.59 11.97 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.1 m -159.26 166.71 30.72 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.2 121.65 4.16 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -122.81 144.78 48.96 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.893 0.854 . . . . 0.0 111.919 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 23.4 m -107.46 131.56 54.16 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.166 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -103.15 173.95 6.08 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.827 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -66.33 -13.1 60.03 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -12.52 61.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.734 1.214 . . . . 0.0 109.86 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 77.12 4.6 3.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.917 1.687 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -95.23 152.49 18.32 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.734 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' LEU . 3.5 m -93.75 115.9 28.36 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.715 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -104.41 116.34 31.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 76.8 m -102.3 126.77 49.4 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-O 121.572 0.701 . . . . 0.0 110.514 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.3 m -95.82 135.07 38.02 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.711 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -133.92 155.31 50.14 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.39 139.2 30.75 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.945 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.304 -1.409 0 C-N-CA 123.415 0.686 . . . . 0.0 109.255 -178.228 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.417 -2.124 0 CA-C-O 121.285 0.564 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -106.76 123.19 47.78 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.676 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 35.5 tt0 -96.42 119.41 34.86 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.48 164.46 27.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.14 140.2 57.94 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.48 122.35 26.34 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.483 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -96.46 -38.1 10.16 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.211 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 m -75.73 -30.73 59.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.364 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.31 127.56 33.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -108.43 146.16 33.51 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.962 0.41 . . . . 0.0 110.494 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.63 162.34 36.04 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.65 166.43 29.8 Favored 'Trans proline' 0 C--O 1.244 0.807 0 C-N-CA 122.297 1.998 . . . . 0.0 110.918 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -87.78 100.87 13.17 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -90.7 -31.91 16.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 m -132.59 119.41 20.45 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -68.22 -24.78 64.97 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.13 -46.59 93.55 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -62.29 -35.07 77.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 110.457 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.21 -48.1 31.14 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.463 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.3 -39.9 94.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.808 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.17 -42.08 89.92 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.685 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -66.65 -54.61 21.37 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.531 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.56 -39.46 84.13 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.173 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.7 mttm -70.98 -60.1 2.42 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -82.04 -44.9 16.01 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.05 -50.57 14.41 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.062 0.458 . . . . 0.0 111.463 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.67 -6.86 42.34 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.4 m-70 63.94 28.9 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.9 0.88 . . . . 0.0 112.394 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' CB ' ' A' ' 45' ' ' LYS . 43.0 mt -94.93 -175.2 3.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -78.85 -59.16 2.89 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -150.2 158.79 44.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.137 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.88 104.96 1.53 Allowed Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -108.81 132.46 53.98 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 -174.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -96.4 132.04 42.33 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.101 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -107.1 -179.44 3.93 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.79 -37.7 60.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.949 1.3 . . . . 0.0 113.654 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.55 7.38 8.35 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.362 0.601 . . . . 0.0 111.481 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 65.85 6.27 3.88 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.835 1.254 . . . . 0.0 113.978 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -91.1 159.77 15.93 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -90.88 129.12 36.95 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.2 m-90 -115.88 109.34 17.48 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.292 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.7 123.87 32.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 2.0 m -80.43 109.8 15.28 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' CB ' HD22 ' A' ' 30' ' ' LEU . 21.8 pttp -115.47 166.33 12.01 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -82.94 133.1 35.13 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.519 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.286 -2.176 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.42 -1.931 0 CA-C-O 120.953 0.406 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.4 m -116.04 137.0 52.51 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 35.7 tt0 -94.92 109.95 21.89 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 m120 -137.18 163.75 30.12 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.647 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.74 137.3 57.72 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.73 128.68 33.91 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.649 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -90.47 -39.34 12.67 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 m -69.54 -31.88 70.35 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 120.993 0.425 . . . . 0.0 110.91 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -80.45 87.22 5.69 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -101.72 96.4 7.06 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 177.96 33.33 Favored Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' CE1' ' A' ' 15' ' ' PHE . 59.1 Cg_endo -85.73 146.73 9.4 Favored 'Trans proline' 0 N--CA 1.431 -2.157 0 C-N-CA 121.81 1.673 . . . . 0.0 111.649 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 t -73.7 108.9 6.81 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.621 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 48.4 m-85 -87.55 -46.02 9.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.1 m -125.98 127.23 45.61 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.474 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.5 m -64.36 -32.37 73.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.504 0.193 . . . . 0.0 111.25 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.37 93.81 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.248 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -65.98 -35.2 79.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.243 0.617 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.93 -49.02 56.07 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.395 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.46 -46.92 80.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.57 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.7 -48.41 81.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.558 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.47 -54.55 44.15 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 122.639 0.376 . . . . 0.0 111.365 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.97 -29.84 70.29 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 46.3 mtpt -80.58 -42.31 22.53 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -89.31 -40.87 12.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -174.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -89.9 -50.42 6.04 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.174 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.66 -16.87 43.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.045 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 78.5 m80 64.35 26.62 13.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.141 0.977 . . . . 0.0 112.811 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -172.94 4.45 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.927 0.491 . . . . 0.0 110.78 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -72.07 -49.9 32.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.549 0.214 . . . . 0.0 110.861 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.2 p -168.61 173.16 7.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 126.16 6.36 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -115.52 135.97 53.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 60.2 m -99.3 126.48 45.15 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -109.8 170.67 7.92 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.67 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -50.09 -33.39 18.41 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.931 1.292 . . . . 0.0 113.712 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 3.23 6.48 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 70.6 -0.76 2.81 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.55 1.54 . . . . 0.0 113.819 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -96.75 158.0 15.63 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -86.42 122.43 30.36 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.411 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 2.0 m-90 -105.68 100.3 9.87 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -97.77 142.75 29.16 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.41 0.624 . . . . 0.0 110.9 -174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -85.04 114.89 22.52 Favored 'General case' 0 N--CA 1.42 -1.955 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.553 -177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE3' ' OD1' ' A' ' 5' ' ' ASN . 22.6 pttp -114.25 158.51 21.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -89.31 126.25 35.44 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.236 0.541 . . . . 0.0 111.031 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.286 -2.16 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.491 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.425 -1.705 0 CA-C-O 121.209 0.528 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 p -111.1 129.42 55.93 Favored 'General case' 0 C--N 1.275 -2.655 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.062 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.32 111.4 23.97 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -132.96 147.16 52.28 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.95 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.08 141.97 57.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -81.64 129.48 34.71 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.91 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -94.55 -36.85 11.65 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 m -71.89 -21.72 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.575 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -80.71 99.48 8.23 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -99.03 105.34 17.46 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.303 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.34 162.91 10.9 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.32 156.56 29.28 Favored 'Trans proline' 0 C--O 1.244 0.813 0 C-N-CA 122.523 2.148 . . . . 0.0 111.419 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 41.8 t -88.98 112.28 23.16 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.332 0.586 . . . . 0.0 111.498 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -104.52 -48.26 3.86 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -95.49 103.34 15.2 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.511 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 5.0 m -58.96 -36.8 75.42 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 124.155 0.982 . . . . 0.0 109.984 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.86 92.54 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.295 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -77.85 -28.79 50.22 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 t -71.87 -42.61 66.66 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -44.9 92.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.854 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.55 -35.82 81.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.761 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -64.54 -55.09 22.78 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.481 0.712 . . . . 0.0 110.368 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.0 m -59.96 -36.98 78.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.487 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 94.7 mttt -67.08 -57.2 7.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.68 -60.66 2.23 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -65.26 -43.69 90.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.164 0.507 . . . . 0.0 112.249 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.17 -5.22 44.5 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 63.24 24.49 14.34 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.003 0.921 . . . . 0.0 111.777 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 64.5 mt -95.28 179.86 5.03 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 120.764 0.316 . . . . 0.0 111.447 -175.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 44' ' ' THR . 55.4 ttt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.457 -176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -156.01 173.27 17.04 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.19 133.6 6.95 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.42 145.3 48.06 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.195 0.521 . . . . 0.0 111.159 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 53.0 m -107.42 115.6 30.44 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -91.98 -179.41 5.28 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.596 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.48 -34.69 17.58 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.394 1.477 . . . . 0.0 113.38 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.73 -0.83 19.43 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 68.42 14.86 9.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.321 0.648 . . . . 0.0 109.714 -173.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -101.08 153.23 19.73 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -92.92 116.9 29.47 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.16 107.77 18.18 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.653 174.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m -78.79 139.87 38.32 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 49.5 m -110.05 118.61 36.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -125.42 171.09 10.74 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -96.92 118.08 32.54 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.2 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.284 -2.279 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.561 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.42 -1.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -124.23 152.73 42.59 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 29.2 tt0 -126.08 138.29 53.69 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -146.08 152.84 39.96 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.95 148.74 34.11 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.49 117.97 29.6 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.385 -1.28 . . . . 0.0 108.211 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.35 -44.15 30.45 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.475 0.71 . . . . 0.0 112.248 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -73.98 -33.96 64.04 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.337 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -68.42 114.39 6.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -115.13 135.57 54.05 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.626 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.29 167.85 16.8 Favored Glycine 0 C--N 1.299 -1.491 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -83.75 144.21 11.0 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.378 2.052 . . . . 0.0 111.052 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 t -72.22 112.38 8.25 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.264 0.554 . . . . 0.0 111.767 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -91.73 -66.58 0.92 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m -100.32 115.86 30.96 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -57.51 -34.1 68.73 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.58 -34.43 76.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.84 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -72.3 -35.3 68.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.377 0.608 . . . . 0.0 109.801 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.71 -41.57 68.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.519 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 23.8 t70 -63.8 -37.16 86.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 176.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -43.31 94.82 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.878 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 41.2 t60 -62.5 -47.8 82.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.772 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.77 -39.35 87.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE2' ' OD2' ' A' ' 21' ' ' ASP . 39.5 mttm -77.6 -53.72 7.24 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.965 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.25 -38.84 21.67 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 13.0 mptt -90.24 -50.79 5.78 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.362 -176.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -85.63 -12.53 51.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.7 m-70 63.76 29.29 14.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.86 0.864 . . . . 0.0 112.873 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.3 mt -97.85 -175.69 3.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.222 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -71.05 -55.46 8.21 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -156.14 171.43 20.17 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.5 142.07 13.24 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -131.26 150.19 52.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.546 0.689 . . . . 0.0 110.903 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.4 m -109.03 119.1 38.54 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -97.38 -178.8 4.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.587 -175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.63 -13.52 32.7 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.466 1.107 . . . . 0.0 113.724 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.38 1.17 56.86 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.341 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 64.09 14.33 8.46 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.321 1.448 . . . . 0.0 113.238 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -100.77 162.39 12.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 m -89.81 126.5 35.71 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -117.55 116.88 27.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.129 177.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -92.19 133.71 35.54 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -92.85 130.89 38.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.816 0.846 . . . . 0.0 108.999 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.628 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 59.3 pttt -137.56 166.06 24.81 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -86.66 127.13 34.92 Favored 'General case' 0 CA--C 1.484 -1.583 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 33.6 m . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 118.188 -0.91 . . . . 0.0 109.155 -173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.406 -2.65 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -114.4 134.09 55.24 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 42' ' ' TRP . 40.9 tt0 -97.27 115.75 28.22 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.395 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -134.68 143.05 47.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.577 0.351 . . . . 0.0 110.427 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.0 mt -59.33 138.2 57.72 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.583 ' HB1' ' SG ' ' A' ' 43' ' ' CYS . . . -87.81 103.25 15.46 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 172.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.97 -31.02 44.82 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.335 0.588 . . . . 0.0 110.546 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.473 HG21 ' NE2' ' A' ' 23' ' ' HIS . 11.8 t -77.9 -8.93 58.76 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.52 -178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -81.6 113.41 19.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -96.64 135.53 38.44 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.073 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.95 -172.65 28.44 Favored Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.672 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -86.28 166.11 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 123.133 2.556 . . . . 0.0 110.994 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 t -77.26 109.59 11.27 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -77.69 -50.53 12.24 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -141.67 144.0 33.89 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -75.45 -13.76 60.4 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.96 -46.82 50.15 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -62.74 -42.74 99.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.45 -43.14 99.39 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.966 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' CG ' ' HZ1' ' A' ' 25' ' ' LYS . 22.3 t70 -60.99 -43.0 99.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.047 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.7 -40.87 92.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.473 ' NE2' HG21 ' A' ' 9' ' ' THR . 24.1 t60 -60.16 -47.96 83.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.386 176.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.51 -41.91 98.49 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.633 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 53.7 mttp -67.5 -45.05 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.12 -60.02 2.01 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 26.3 tptp -64.88 -50.05 68.09 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.087 0.555 . . . . 0.0 111.574 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -93.86 -13.74 26.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.316 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 35.5 t-80 53.19 63.75 2.11 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.857 1.263 . . . . 0.0 111.519 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.5 mt -121.29 -174.8 2.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.585 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -68.74 -56.82 6.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.453 0.644 . . . . 0.0 111.459 -175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -158.68 -177.29 6.42 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.166 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.83 135.23 5.98 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -136.46 119.93 16.99 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.155 0.502 . . . . 0.0 109.912 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.0 140.64 50.89 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -107.11 -178.66 3.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.486 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -57.68 -27.64 63.08 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.468 1.107 . . . . 0.0 112.905 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -71.55 -4.83 29.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.803 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 67.22 14.41 9.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.349 1.059 . . . . 0.0 112.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -106.02 164.76 11.71 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 m -88.73 122.93 32.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 4' ' ' GLU . 3.6 m-90 -113.39 126.09 54.97 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.257 173.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.583 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 78.0 m -98.31 146.28 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.094 0.473 . . . . 0.0 110.217 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -95.51 113.42 25.08 Favored 'General case' 0 C--N 1.287 -2.109 0 C-N-CA 124.015 0.926 . . . . 0.0 108.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -109.82 151.71 26.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.14 133.27 39.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.1 0.476 . . . . 0.0 112.146 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.485 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.428 -1.558 0 CA-C-O 120.964 0.412 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 m -115.63 118.38 32.93 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.719 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -89.65 114.54 26.17 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.35 151.72 51.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.31 135.82 57.85 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.1 99.58 11.84 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.576 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -95.35 -10.88 28.85 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m -68.94 -39.55 79.49 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.428 -1.26 . . . . 0.0 107.8 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -72.89 130.81 41.25 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -79.61 104.89 10.52 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.429 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -172.23 38.74 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.778 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.98 -179.84 4.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.419 2.746 . . . . 0.0 111.761 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.1 t -93.44 106.99 18.9 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -96.53 -25.82 15.5 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -140.97 118.62 11.63 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.291 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 18.2 m -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.821 0.848 . . . . 0.0 111.144 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.62 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.932 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -71.28 -40.56 70.84 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.64 -49.88 64.77 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.927 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.33 -41.27 89.86 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.798 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.66 -42.09 92.08 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.732 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 22.5 t60 -62.55 -56.26 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.757 -178.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.84 -32.14 73.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -80.0 -60.92 2.15 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.006 0.432 . . . . 0.0 111.573 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.06 -39.49 55.34 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 28.4 tptp -85.13 -50.49 7.37 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 122.407 -0.183 . . . . 0.0 111.39 -177.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -96.04 -7.44 36.22 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.82 35.46 6.7 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.739 0.78 . . . . 0.0 111.385 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.39 179.77 4.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -72.51 -55.8 6.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.0 m -160.57 168.07 25.77 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.9 125.82 5.97 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -123.04 139.78 53.72 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.449 0.642 . . . . 0.0 111.602 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.0 m -93.33 115.05 27.63 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.67 -179.3 4.55 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.021 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.89 -37.64 44.9 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.966 1.306 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -1.76 8.73 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.167 0.587 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 71.28 6.0 5.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.904 1.282 . . . . 0.0 109.405 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -90.72 148.54 22.52 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.704 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 62.4 m -82.89 110.46 17.91 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.179 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.08 105.44 15.61 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 173.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.9 m -104.44 138.4 40.9 Favored 'General case' 0 C--N 1.279 -2.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 m -86.61 122.8 31.04 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.232 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -108.86 146.41 33.75 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -85.11 117.19 23.91 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.421 -1.884 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -140.41 148.29 41.0 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 34.8 tt0 -97.01 133.75 41.28 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -153.09 153.37 32.7 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.51 143.31 29.95 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.725 ' HB1' ' SG ' ' A' ' 43' ' ' CYS . . . -87.56 111.03 20.8 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.786 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.83 -39.72 76.28 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.386 0.612 . . . . 0.0 110.204 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 m -69.87 -23.35 63.26 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.769 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.94 108.14 9.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -94.69 117.39 30.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.52 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.03 -170.48 14.6 Favored Glycine 0 C--N 1.303 -1.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.654 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.75 166.61 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 123.273 2.649 . . . . 0.0 111.957 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -83.68 117.18 23.03 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.045 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -97.58 -32.51 11.76 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -139.83 122.65 16.52 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.565 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 23.3 m -58.58 -40.98 84.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.982 0.513 . . . . 0.0 111.326 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.74 -33.02 86.12 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.48 -0.39 . . . . 0.0 112.762 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 t -72.66 -31.3 64.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.575 0.702 . . . . 0.0 109.133 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.58 -46.01 56.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.282 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 33.2 t70 -56.86 -40.61 76.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.755 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.829 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.73 -50.8 70.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.848 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.52 -38.16 90.06 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.127 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 7.8 mtpm? -77.87 -45.5 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.46 -60.3 2.03 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.7 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -71.37 -47.08 58.52 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.008 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.51 -8.14 55.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 61.38 27.91 17.44 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.986 0.514 . . . . 0.0 112.093 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.3 mt -103.4 177.31 4.88 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 51.8 ttt180 -66.38 -57.29 7.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -155.04 166.04 34.83 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 122.088 -0.383 . . . . 0.0 110.114 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.78 124.85 5.52 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -124.25 127.16 47.26 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.0 m -81.81 127.63 33.18 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -103.77 178.83 4.45 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.274 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.57 -21.19 62.31 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.067 0.947 . . . . 0.0 113.14 -173.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -83.14 1.96 37.86 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.29 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 68.45 4.79 4.43 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.395 1.478 . . . . 0.0 113.731 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -95.56 162.14 13.76 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 m -93.0 125.39 37.56 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 1.9 m-90 -111.11 120.49 42.51 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.27 176.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.725 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 38.1 m -104.04 141.19 36.64 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 m -83.55 109.05 17.07 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -110.33 170.92 7.77 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -100.59 129.44 46.52 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.275 -2.668 0 C-N-CA 123.444 0.697 . . . . 0.0 109.217 178.295 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.5 m -117.67 139.16 51.39 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -89.74 122.21 32.62 Favored 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -151.93 157.18 41.44 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.599 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.63 138.79 51.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.7 135.13 57.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.224 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.91 -51.31 6.46 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.198 -170.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.453 ' HB ' ' NE2' ' A' ' 23' ' ' HIS . 6.2 m -89.23 -21.87 23.03 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.196 0.522 . . . . 0.0 110.63 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 27.7 t80 -79.76 94.81 5.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -104.67 11.16 34.38 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.517 0.675 . . . . 0.0 111.587 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.76 179.23 28.93 Favored Glycine 0 C--N 1.286 -2.205 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.775 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -94.74 140.48 1.21 Allowed 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 123.172 2.581 . . . . 0.0 111.094 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.2 120.81 28.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -113.79 -50.76 2.82 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -93.82 115.59 28.01 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 m -60.95 -33.89 73.89 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.91 -36.23 79.45 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.25 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -65.77 -40.11 91.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.533 0.682 . . . . 0.0 110.158 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -71.13 -39.33 72.06 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.65 -44.29 90.94 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.181 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.79 -47.15 85.74 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.779 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 62.5 t60 -62.6 -60.02 4.11 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.796 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.99 -27.11 67.17 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.62 -60.7 2.25 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.652 -0.655 . . . . 0.0 111.994 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -90.04 -44.44 9.84 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -76.43 -41.57 47.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.51 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.97 -31.24 14.35 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 66.45 62.32 0.55 Allowed 'General case' 0 C--O 1.245 0.839 0 CA-C-O 122.897 1.332 . . . . 0.0 110.512 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.28 -178.33 3.39 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -72.5 -40.05 67.17 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 118.23 0.468 . . . . 0.0 111.691 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -170.05 168.47 8.47 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.72 117.43 2.35 Favored Glycine 0 CA--C 1.499 -0.949 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -113.74 125.26 53.91 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.317 0.58 . . . . 0.0 109.627 -172.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.9 m -84.41 131.38 34.68 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.585 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -111.17 178.08 4.45 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.48 -16.04 63.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.22 6.82 24.32 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.141 -0.349 . . . . 0.0 111.466 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 69.98 -0.35 2.78 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -100.09 157.63 16.43 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.65 130.44 39.58 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.59 108.75 20.41 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 170.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.8 m -110.12 136.61 49.08 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.376 -175.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.1 m -79.29 115.69 19.09 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 120.971 0.415 . . . . 0.0 110.173 -177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -117.0 165.96 12.74 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.61 144.64 30.18 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.637 179.553 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 p -140.98 139.81 34.28 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.433 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 32.7 tt0 -96.69 118.04 32.29 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -139.83 168.27 20.2 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.42 HD22 ' HG3' ' A' ' 40' ' ' ARG . 76.0 mt -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.144 0.497 . . . . 0.0 112.161 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 146.52 49.27 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.574 -1.194 . . . . 0.0 109.936 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.34 -45.14 5.96 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -103.34 -12.69 17.06 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.14 114.0 4.93 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -102.27 131.11 49.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.249 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.24 173.71 34.22 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.61 171.26 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.349 2.033 . . . . 0.0 111.567 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 t -82.94 113.36 20.49 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.41 -41.9 8.0 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -127.94 122.64 32.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.544 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 60.9 m -58.45 -35.7 72.53 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.37 -37.42 93.1 Favored Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.985 -0.341 . . . . 0.0 112.642 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -71.89 -38.96 69.9 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.045 0.538 . . . . 0.0 110.88 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -64.18 -48.79 74.58 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.862 0.839 . . . . 0.0 109.103 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.81 -39.98 91.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.897 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.51 -54.1 50.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.741 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -60.96 -49.84 75.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.064 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.85 -35.53 76.79 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.31 -45.73 17.35 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.797 -0.564 . . . . 0.0 111.335 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -77.14 -56.17 4.8 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -83.95 -46.65 11.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.416 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.1 -11.32 50.5 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.3 m80 60.61 37.8 19.12 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.571 0.701 . . . . 0.0 111.583 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -95.01 -178.21 4.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -73.5 -54.99 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 p -158.57 168.31 27.27 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.65 135.18 10.01 Favored Glycine 0 CA--C 1.499 -0.907 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 77.8 mtp180 -127.76 143.42 51.13 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.515 0.674 . . . . 0.0 110.833 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.3 m -105.19 106.33 16.77 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -84.94 -179.74 7.13 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.468 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.73 -31.74 66.75 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -78.32 -4.22 46.95 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.814 0.34 . . . . 0.0 111.489 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 68.48 0.86 2.72 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.896 1.278 . . . . 0.0 114.164 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HG3' HD22 ' A' ' 6' ' ' LEU . 26.0 tpt180 -82.86 144.88 29.78 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.62 114.72 16.75 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -101.38 102.64 13.49 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.75 139.21 38.64 Favored 'General case' 0 C--N 1.266 -3.029 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.765 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -79.11 112.47 16.35 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 19.6 ptmt -112.72 159.31 19.06 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.805 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.05 121.42 27.39 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.558 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 27.2 m . . . . . 0 C--N 1.281 -2.379 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.423 -1.789 0 CA-C-O 120.884 0.373 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -117.48 118.72 32.95 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -102.29 109.93 21.74 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.72 169.93 16.93 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.709 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.19 147.26 53.3 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . . . -76.42 137.95 40.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.163 175.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.69 -50.15 5.9 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.476 HG22 ' OE1' ' A' ' 28' ' ' GLU . 12.2 t -91.13 -2.99 57.46 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.031 -174.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.42 112.46 8.5 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -99.52 126.63 45.51 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 120.946 0.403 . . . . 0.0 110.342 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.13 179.71 27.45 Favored Glycine 0 N--CA 1.424 -2.133 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.388 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -89.86 171.9 3.94 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 122.622 2.215 . . . . 0.0 111.452 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -87.98 120.18 29.07 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.731 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.64 -43.65 4.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -113.95 110.84 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.2 m -58.97 -36.26 74.56 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -28.57 72.9 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -74.13 -36.7 64.2 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -65.0 -47.26 78.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.053 177.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.31 -42.34 95.34 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 0.0 110.279 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.97 -43.46 98.75 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.57 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.58 -44.98 92.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.909 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.8 m -58.62 -34.6 71.34 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 96.5 mttt -80.1 -39.36 29.74 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -90.28 -51.34 5.48 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -175.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -84.91 -45.03 12.62 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.371 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' HG22 ' A' ' 9' ' ' THR . 34.3 mm-40 -80.51 -20.84 42.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.281 177.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 67.08 30.81 7.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.148 0.979 . . . . 0.0 111.948 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 60.3 mt -106.59 178.38 4.58 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 120.767 0.318 . . . . 0.0 111.155 -176.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 32.8 ttt180 -57.69 -57.68 11.66 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.159 0.984 . . . . 0.0 112.531 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.3 m -158.4 -169.54 2.79 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -169.02 164.67 38.29 Favored Glycine 0 CA--C 1.484 -1.904 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -154.03 177.18 11.35 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.114 0.483 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 21.4 m -113.98 138.58 50.17 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -110.3 -178.74 3.58 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.609 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.48 -30.21 28.84 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.863 1.665 . . . . 0.0 112.908 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.23 -4.91 52.88 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.617 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.06 10.81 6.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.711 1.204 . . . . 0.0 111.635 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -92.6 151.66 20.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.1 m -84.05 125.73 32.38 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -113.01 104.95 12.9 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 113.801 -1.545 . . . . 0.0 107.481 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 7' ' ' ALA . 67.5 m -88.31 146.52 25.26 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 19.9 m -112.9 124.31 52.31 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -121.92 160.46 24.75 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 93.9 m-20 -83.91 131.38 34.86 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 C--N 1.286 -2.193 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.01 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 p -108.65 155.93 20.13 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -107.08 160.26 15.7 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.46 120.7 9.54 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.579 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -130.04 164.26 24.71 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.472 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.6 mt -68.89 138.2 54.48 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . . . -70.54 115.51 9.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.04 -39.05 30.64 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.19 -0.604 . . . . 0.0 112.492 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.491 HG21 ' NE2' ' A' ' 23' ' ' HIS . 9.7 t -86.67 11.78 12.17 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.285 0.564 . . . . 0.0 111.014 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -100.95 98.19 8.69 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.64 119.4 39.04 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.23 174.45 13.67 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -84.86 157.34 11.74 Favored 'Trans proline' 0 N--CA 1.444 -1.396 0 C-N-CA 122.763 2.309 . . . . 0.0 112.226 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 t -86.0 110.28 19.37 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.199 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -97.82 -24.32 15.49 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.499 0.666 . . . . 0.0 110.064 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -141.12 121.78 14.27 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.6 m -59.71 -35.2 74.04 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.0 88.36 Favored Glycine 0 CA--C 1.521 0.429 0 O-C-N 123.271 0.357 . . . . 0.0 112.306 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -65.39 -45.69 83.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.84 0.829 . . . . 0.0 110.551 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.21 -46.75 88.67 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.696 1.199 . . . . 0.0 109.729 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.491 ' NE2' HG21 ' A' ' 9' ' ' THR . 36.0 t60 -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.874 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.28 -33.51 75.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.71 -46.17 32.64 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.33 -52.74 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.088 0.774 . . . . 0.0 113.088 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.44 -50.49 10.02 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -80.45 -17.07 52.81 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.26 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.9 t60 66.85 31.33 7.34 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 122.371 1.082 . . . . 0.0 110.297 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.03 -171.62 1.95 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.047 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 46.8 ttt180 -71.77 -57.53 4.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.9 m -156.64 178.94 9.76 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -138.54 135.59 7.52 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -126.09 139.53 53.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.8 m -93.52 136.31 33.92 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.17 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 mmm180 -87.47 171.58 10.43 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.582 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.29 -27.7 68.13 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.671 0.748 . . . . 0.0 109.647 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.61 8.08 10.66 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.939 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.28 2.34 3.96 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.862 1.665 . . . . 0.0 114.523 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -88.88 151.2 22.49 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.775 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -91.78 122.04 33.96 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -108.44 118.87 37.91 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 172.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 7' ' ' ALA . 55.9 m -93.03 122.18 35.14 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.601 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 10.6 m -79.69 130.69 35.57 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -131.52 158.5 40.77 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -88.26 151.41 22.67 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.293 -1.891 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.292 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 CA--C 1.509 -0.62 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-O 121.793 0.806 . . . . 0.0 110.761 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 p -120.95 166.01 14.42 Favored 'General case' 0 C--N 1.267 -3.019 0 CA-C-N 114.501 -1.227 . . . . 0.0 107.925 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -131.87 134.24 45.5 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.359 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -142.06 160.82 39.45 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.38 144.25 57.3 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.115 0.483 . . . . 0.0 111.057 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.92 113.81 11.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.39 -42.19 23.26 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.085 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -69.99 -34.32 73.18 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.594 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -80.99 92.84 6.25 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -92.26 83.87 5.12 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.109 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.25 -179.7 36.51 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.702 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.78 159.62 12.09 Favored 'Trans proline' 0 N--CA 1.444 -1.383 0 C-N-CA 122.974 2.449 . . . . 0.0 111.75 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.5 t -85.52 98.8 10.83 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.705 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -80.78 -35.99 32.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.563 0.697 . . . . 0.0 109.415 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -131.85 123.15 26.94 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.637 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 39.2 m -59.86 -38.45 82.18 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.477 0.486 . . . . 0.0 111.686 -176.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.3 -42.78 97.51 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.647 0.592 . . . . 0.0 111.697 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -63.5 -45.29 91.34 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.468 0.707 . . . . 0.0 111.264 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.97 -48.17 72.14 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.784 0.802 . . . . 0.0 110.166 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 31.0 t70 -58.69 -46.12 87.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.949 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.72 -45.93 92.35 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.49 -49.93 75.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.034 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -69.73 -33.57 72.66 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.6 ptpt -80.15 -33.62 38.32 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.647 -0.821 . . . . 0.0 113.095 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.2 -60.7 1.86 Allowed 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -67.09 -48.55 67.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.791 0.329 . . . . 0.0 111.639 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.38 -10.21 50.09 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 60.61 29.74 19.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.398 1.079 . . . . 0.0 110.449 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.35 179.68 6.84 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.252 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' C ' ' HG ' ' A' ' 32' ' ' SER . 20.7 ttt180 -66.8 -57.23 7.46 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.116 0.484 . . . . 0.0 110.075 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' HG ' ' C ' ' A' ' 31' ' ' ARG . 60.9 m -160.45 168.27 25.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.38 126.33 6.61 Favored Glycine 0 CA--C 1.489 -1.592 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.9 140.73 48.75 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.905 0.859 . . . . 0.0 110.96 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.637 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 54.2 m -100.21 115.65 30.38 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.897 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.562 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 17.8 mmm180 -74.31 169.62 17.26 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.671 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.22 -9.43 58.61 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.137 0.97 . . . . 0.0 109.673 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.92 -8.19 59.59 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.185 -1.37 . . . . 0.0 107.857 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 68.87 3.94 4.22 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.184 1.794 . . . . 0.0 113.624 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -92.71 156.7 16.87 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 55.6 m -91.48 118.49 30.61 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -111.14 112.66 24.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.18 133.93 51.75 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-O 121.315 0.579 . . . . 0.0 110.878 -174.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 m -79.6 117.85 20.9 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.696 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.29 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.294 -175.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -99.89 121.79 41.86 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.641 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.281 -2.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.075 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt . . . . . 0 CA--C 1.507 -0.682 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -120.05 123.92 44.61 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-O 121.18 0.514 . . . . 0.0 109.798 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -115.47 172.03 7.35 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.992 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 125.63 16.84 Favored 'General case' 0 N--CA 1.425 -1.717 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.45 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -134.07 164.59 27.0 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 46.7 mt -61.71 138.73 58.34 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 123.513 0.508 . . . . 0.0 112.22 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 132.76 53.67 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.59 -50.69 6.64 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 123.421 0.451 . . . . 0.0 111.732 -172.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.253 71.0 p -92.44 -14.93 27.83 Favored 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 118.175 -1.41 . . . . 0.0 113.273 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.556 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 46.7 t80 -83.95 92.95 7.94 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -99.97 115.43 29.66 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.033 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.08 176.62 14.62 Favored Glycine 0 N--CA 1.419 -2.441 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.23 159.85 29.7 Favored 'Trans proline' 0 N--CA 1.442 -1.503 0 C-N-CA 122.627 2.218 . . . . 0.0 111.984 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 44.3 t -94.89 114.12 25.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.237 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -100.81 -31.64 11.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -133.71 113.66 12.58 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.445 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 13.2 t -64.83 -27.83 69.14 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.492 -174.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.96 82.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -72.93 -42.54 63.37 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.24 -48.68 77.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.72 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.14 -46.06 89.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.856 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.79 -50.32 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 17.6 t60 -61.85 -44.31 97.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -65.86 -28.2 68.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 90.3 mttt -80.25 -49.35 11.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.037 0.446 . . . . 0.0 110.921 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -77.66 -49.22 14.96 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -90.03 -50.08 6.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.205 0.526 . . . . 0.0 110.997 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.15 -16.22 56.95 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.689 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.9 m80 55.93 40.62 30.47 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.846 0.832 . . . . 0.0 112.527 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.6 mt -103.31 -178.2 3.59 Favored 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.09 -43.18 29.81 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -163.66 165.07 23.7 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.03 122.48 4.84 Favored Glycine 0 N--CA 1.438 -1.178 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -117.88 145.42 44.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.312 0.577 . . . . 0.0 109.882 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.6 m -109.39 121.18 44.61 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -85.99 -179.61 6.81 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -75.0 -2.91 29.39 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.735 0.779 . . . . 0.0 110.544 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.06 -10.04 57.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 72.58 -0.44 3.31 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.078 1.751 . . . . 0.0 113.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -93.67 152.9 18.67 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.35 118.11 20.96 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.14 109.6 20.17 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 171.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.2 137.55 43.95 Favored 'General case' 0 C--N 1.276 -2.595 0 CA-C-O 121.372 0.606 . . . . 0.0 111.447 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -78.88 126.81 31.2 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.9 -175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -125.13 147.79 48.86 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.536 -176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -84.69 123.74 30.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.993 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--O 1.216 -0.691 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -105.63 132.67 51.49 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 p -144.63 145.1 31.6 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.09 0.471 . . . . 0.0 110.473 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.604 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 24.1 tt0 -89.63 110.47 21.34 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -133.85 150.19 51.38 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.054 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -46.53 135.78 8.18 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.62 127.75 32.83 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.74 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -84.9 -50.41 7.54 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.662 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 m -81.43 -31.5 33.08 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.607 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 40.0 t80 -80.73 94.65 6.42 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -96.12 16.76 17.2 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.38 0.61 . . . . 0.0 112.552 -174.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.67 173.9 15.0 Favored Glycine 0 C--N 1.28 -2.539 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.395 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -75.45 157.74 40.74 Favored 'Trans proline' 0 C--O 1.253 1.241 0 C-N-CA 122.614 2.209 . . . . 0.0 110.782 172.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.0 t -100.89 132.53 46.25 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.667 179.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.81 -61.72 1.33 Allowed 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -98.96 123.75 43.46 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.727 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 85.3 m -54.52 -42.2 70.56 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.897 0.38 . . . . 0.0 111.809 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.68 -22.61 66.29 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.818 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -77.78 -40.37 41.0 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 120.875 0.369 . . . . 0.0 110.094 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -77.08 -34.96 56.94 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.95 -45.82 89.54 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.99 -41.02 86.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.323 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 23.0 t60 -67.02 -47.97 69.79 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 94.8 m -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.0 mmtt -72.74 -53.07 12.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.126 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -81.87 -51.63 7.91 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.73 -48.11 9.13 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.013 -175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -79.96 -20.58 45.23 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.417 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.0 m80 61.02 31.92 19.88 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.675 0.79 . . . . 0.0 110.915 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 44' ' ' THR . 78.9 mt -90.65 177.05 6.45 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.913 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -65.88 -42.01 90.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.193 0.308 . . . . 0.0 110.841 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -172.72 176.02 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.036 0.534 . . . . 0.0 110.128 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.39 130.23 5.33 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 56.9 mtp180 -120.48 137.02 54.58 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.929 0.871 . . . . 0.0 111.967 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.727 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.2 m -100.46 105.44 16.91 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.859 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.336 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.17 -23.21 67.33 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.897 0.856 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.61 -15.39 63.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.173 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 73.87 -0.4 3.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 126.044 1.738 . . . . 0.0 111.153 -175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.01 148.48 22.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 98.1 m -90.52 120.34 31.54 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.6 m-90 -108.25 108.62 19.72 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -105.73 146.85 29.26 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.416 0.627 . . . . 0.0 111.525 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 2.4 m -78.97 108.52 12.5 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.175 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -127.65 175.22 8.45 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.962 0.411 . . . . 0.0 111.003 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.61 137.61 36.26 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.982 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.279 -2.487 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.642 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp . . . . . 0 CA--C 1.497 -1.095 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -91.88 127.76 37.46 Favored 'General case' 0 N--CA 1.411 -2.385 0 CA-C-O 121.68 0.753 . . . . 0.0 112.102 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.606 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 6.8 p -111.03 114.55 27.93 Favored 'General case' 0 C--N 1.275 -2.657 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 11.1 tt0 -90.17 110.24 21.28 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -128.94 148.49 50.94 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.976 -168.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.64 140.5 41.04 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.89 104.53 16.59 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.427 -1.261 . . . . 0.0 108.355 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.52 -26.85 37.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.572 0.701 . . . . 0.0 109.445 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -38.5 79.02 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.264 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -87.03 79.76 8.6 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -85.0 108.48 17.62 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.848 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.38 158.72 8.48 Favored Glycine 0 N--CA 1.416 -2.674 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -74.19 158.22 45.43 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 122.27 1.98 . . . . 0.0 111.18 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.8 t -83.08 98.53 9.35 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.97 -33.74 18.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.419 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 27.4 m -131.41 121.52 24.73 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 27.8 m -65.36 -35.44 80.97 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.6 73.78 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.948 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 11.9 p -71.51 -34.57 70.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 117.2 0.5 . . . . 0.0 111.619 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.68 -50.84 69.55 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.403 0.621 . . . . 0.0 109.632 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.26 -45.36 93.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.689 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.45 -44.16 96.12 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.637 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -62.36 -51.13 68.84 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 120.818 0.342 . . . . 0.0 110.137 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.36 -29.67 70.74 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 62.4 mtpt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -89.93 -40.97 12.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -90.11 -50.28 6.09 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -78.77 -19.81 51.35 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.945 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 m80 63.01 30.05 16.36 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.097 0.959 . . . . 0.0 111.47 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.4 mt -88.74 179.12 6.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.548 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -71.6 -44.85 63.7 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -164.42 165.36 21.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.84 122.95 4.89 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.04 136.01 53.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.92 0.867 . . . . 0.0 112.725 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 56.1 m -93.8 113.55 25.62 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.823 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -87.46 177.25 7.15 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.797 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -48.07 -37.12 14.4 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.592 1.557 . . . . 0.0 113.593 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -84.82 8.36 17.58 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 67.83 18.57 9.67 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.808 0.843 . . . . 0.0 111.963 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -93.6 152.69 18.85 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.622 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.84 105.16 17.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.799 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.451 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -101.68 103.66 14.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 173.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -95.5 141.33 29.16 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-O 121.341 0.591 . . . . 0.0 111.02 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -79.34 109.0 13.29 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.171 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.606 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 18.2 ptpt -118.36 171.86 7.85 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.476 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -100.61 125.37 46.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 120.983 0.421 . . . . 0.0 111.45 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.289 -2.065 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.622 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p -122.22 146.84 46.88 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.163 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -125.74 125.38 42.89 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -89.94 109.32 20.35 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -134.83 150.09 50.44 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.63 137.91 58.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.13 139.34 50.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.683 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.32 -47.65 4.86 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.713 -174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -75.82 -20.68 57.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.002 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -74.0 128.04 34.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -115.92 139.39 50.28 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.615 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.41 -176.91 34.41 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.754 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.88 166.91 13.03 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 C-N-CA 122.705 2.27 . . . . 0.0 110.965 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 37.1 t -86.96 106.41 17.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.084 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.84 -55.61 3.49 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 m -108.49 110.84 22.44 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 11.8 t -62.32 -31.55 72.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.477 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.4 -39.81 97.24 Favored Glycine 0 N--CA 1.435 -1.405 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -69.89 -38.57 76.38 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 t -61.44 -47.57 85.14 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.457 0.646 . . . . 0.0 109.447 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -46.48 87.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.55 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.46 -42.86 99.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.158 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.6 m -68.03 -30.22 69.39 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.21 -41.17 61.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.868 0.365 . . . . 0.0 111.307 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.2 -60.13 2.09 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -81.13 -44.81 17.36 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 120.742 0.306 . . . . 0.0 111.555 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.09 -15.62 57.92 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.124 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 58.91 30.01 19.62 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.87 0.868 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -94.34 -172.09 2.69 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.686 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 33.6 ttt180 -84.72 -43.94 13.84 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 120.572 0.225 . . . . 0.0 110.626 -174.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -161.94 174.69 12.74 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.79 128.17 4.33 Favored Glycine 0 N--CA 1.435 -1.407 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -131.63 149.55 52.46 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.658 0.742 . . . . 0.0 110.606 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.4 m -111.48 121.01 44.07 Favored 'General case' 0 C--N 1.282 -2.339 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.157 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -85.69 175.35 8.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.989 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.53 -15.22 60.56 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 122.138 0.971 . . . . 0.0 111.096 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.03 -17.14 64.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.606 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 69.88 15.38 7.88 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.234 1.414 . . . . 0.0 111.165 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -105.44 147.13 28.6 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -82.11 114.17 20.47 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -105.91 113.43 26.98 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 174.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.9 m -109.57 140.19 43.67 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-O 121.613 0.721 . . . . 0.0 111.432 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -79.86 116.19 19.87 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.476 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -109.51 148.62 30.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.559 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.5 m-20 -83.6 126.99 33.41 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.011 0.434 . . . . 0.0 111.089 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.266 1.938 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.264 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--O 1.216 -0.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 44' ' ' THR . 25.2 p -104.19 151.49 23.29 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 118.66 0.663 . . . . 0.0 112.661 178.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -140.18 149.08 42.51 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.67 127.25 56.06 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -142.59 160.47 40.23 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.6 137.87 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.98 131.59 46.18 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.524 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.68 -50.34 7.73 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.462 ' HG1' ' CD ' ' A' ' 28' ' ' GLU . 20.8 m -75.8 -24.83 55.95 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.823 -0.548 . . . . 0.0 110.823 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 30.2 t80 -82.92 80.02 9.11 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.907 0.86 . . . . 0.0 109.502 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -90.48 108.62 19.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.36 172.25 21.39 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.72 153.29 13.32 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 122.657 2.238 . . . . 0.0 110.858 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -89.02 114.32 25.51 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.698 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.6 -39.09 8.06 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -120.81 111.47 17.61 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 8.8 t -59.51 -33.74 71.73 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.42 -35.64 92.32 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.96 -42.61 89.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.265 0.555 . . . . 0.0 109.588 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.18 -49.12 75.52 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.189 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.09 -37.93 86.91 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.23 -51.02 63.58 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 41.7 t60 -59.75 -51.35 70.15 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.046 0.841 . . . . 0.0 110.888 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 90.4 m -63.42 -45.25 91.84 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -78.69 -35.58 44.84 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -90.62 -60.68 1.85 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -76.26 -44.07 38.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.862 0.363 . . . . 0.0 111.385 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.462 ' CD ' ' HG1' ' A' ' 9' ' ' THR . 5.9 mm-40 -79.05 -13.14 59.95 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.759 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 m80 57.16 43.55 23.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 123.872 0.869 . . . . 0.0 112.737 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.5 mt -101.23 -177.17 3.37 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -80.55 -49.26 11.57 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -154.69 162.38 41.15 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.45 130.66 4.68 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.44 153.35 50.13 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.808 0.813 . . . . 0.0 111.208 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.4 m -94.81 130.01 41.55 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.356 -177.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -104.61 -178.57 3.69 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.163 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.32 -44.94 11.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.847 1.659 . . . . 0.0 112.919 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -79.06 6.39 9.56 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.002 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 68.78 12.38 8.64 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 124.539 1.135 . . . . 0.0 111.756 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -98.22 154.08 18.03 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.9 m -88.04 118.08 27.35 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -103.17 115.93 31.51 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 171.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.9 m -120.32 136.7 54.6 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-O 121.414 0.626 . . . . 0.0 111.343 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 2' ' ' THR . 24.9 m -79.9 123.96 28.24 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.131 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -122.34 159.05 28.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.174 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -92.96 127.45 38.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.171 0.51 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.292 -1.928 0 C-N-CA 124.424 1.089 . . . . 0.0 108.865 -179.665 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 tttp . . . . . 0 C--O 1.213 -0.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.41 HG21 HH11 ' A' ' 31' ' ' ARG . 24.5 p -79.97 123.82 28.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 118.989 -1.084 . . . . 0.0 112.079 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.2 m -87.74 148.0 24.94 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.077 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' OE1' ' HD2' ' A' ' 34' ' ' ARG . 28.4 tt0 -116.68 109.68 17.49 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.85 136.98 53.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.299 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 136.05 57.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -80.53 112.66 18.1 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.232 176.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -72.4 -32.85 66.73 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -69.05 -29.02 67.07 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.271 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 35.9 t80 -85.88 83.15 7.89 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -92.69 88.72 6.37 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.1 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.47 171.98 26.02 Favored Glycine 0 N--CA 1.424 -2.16 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.59 150.91 22.04 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.725 2.284 . . . . 0.0 111.39 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 41.3 t -76.14 108.61 9.18 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.036 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.63 -27.6 14.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.581 0.705 . . . . 0.0 109.656 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -140.17 121.78 15.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.3 t -67.82 -31.02 70.59 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 120.722 0.296 . . . . 0.0 110.789 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.78 -36.56 93.51 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 m -70.16 -30.41 67.54 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.073 0.464 . . . . 0.0 109.819 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.14 -46.14 57.71 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.54 -51.28 69.17 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.714 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.69 -42.23 92.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.369 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.46 -55.68 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.639 0.776 . . . . 0.0 110.406 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.71 -29.51 70.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.035 0.445 . . . . 0.0 111.972 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 48.0 mtpt -80.13 -48.83 12.59 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -91.03 -33.61 15.45 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -87.82 -51.16 6.0 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.079 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -85.52 -14.74 45.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.636 -177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.504 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.3 m80 63.49 34.6 12.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.051 0.941 . . . . 0.0 111.53 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -103.95 -179.92 4.09 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.28 -177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.41 HH11 HG21 ' A' ' 2' ' ' THR . 68.5 ttt180 -57.64 -52.31 65.94 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.594 0.758 . . . . 0.0 111.905 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -169.37 -174.54 1.98 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.53 161.12 26.58 Favored Glycine 0 N--CA 1.43 -1.758 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 4' ' ' GLU . 5.1 ptp180 -155.66 147.48 23.2 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 117.305 0.553 . . . . 0.0 110.576 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.0 m -104.06 113.26 26.68 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.7 mmt180 -84.44 -179.27 7.13 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.46 -20.54 31.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.259 1.024 . . . . 0.0 113.319 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.24 13.94 8.72 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.255 -0.278 . . . . 0.0 111.478 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 50.1 27.39 2.51 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.922 1.689 . . . . 0.0 114.221 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -115.87 165.64 12.86 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 m -95.57 122.75 38.65 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 36' ' ' ARG . 5.3 m-90 -106.71 118.92 37.93 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.029 -1.441 . . . . 0.0 107.131 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 80.7 m -87.53 138.7 31.24 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 m -95.58 120.53 36.0 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -132.83 148.51 52.31 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.303 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.45 137.13 38.5 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 120.826 0.345 . . . . 0.0 111.014 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.291 -1.969 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.35 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 CA--C 1.502 -0.893 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -79.69 150.81 30.78 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-O 121.196 0.522 . . . . 0.0 110.906 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.49 144.17 48.15 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.86 124.8 11.99 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.786 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -138.12 165.98 25.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.07 143.8 57.46 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.439 0.638 . . . . 0.0 111.638 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.85 124.36 27.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.787 175.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.18 -37.45 8.93 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.095 0.474 . . . . 0.0 110.065 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -68.98 -35.25 76.51 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.554 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -73.48 121.28 20.32 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -112.43 121.85 46.04 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.212 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.94 165.91 13.08 Favored Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.949 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.08 141.4 20.87 Favored 'Trans proline' 0 C--O 1.245 0.865 0 C-N-CA 122.435 2.09 . . . . 0.0 111.071 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 44.6 t -94.18 117.5 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 120.948 0.404 . . . . 0.0 110.586 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.97 -46.29 6.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -109.91 109.32 19.91 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.672 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 15.0 t -57.9 -33.59 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.89 -30.49 77.4 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.884 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -73.01 -37.55 66.9 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.974 0.416 . . . . 0.0 110.136 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -79.31 -32.05 43.35 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.5 t70 -57.94 -45.04 87.23 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.15 -46.48 88.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.532 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -59.99 -53.88 52.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.24 -31.22 72.32 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 44.7 mtmt -80.14 -35.29 36.86 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.948 -0.47 . . . . 0.0 111.314 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -90.08 -60.15 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -67.64 -50.09 59.7 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.556 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.49 -10.92 41.85 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 61.28 29.79 18.83 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 122.215 1.007 . . . . 0.0 110.421 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 45' ' ' LYS . 72.5 mt -87.66 -172.58 3.94 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.67 -0.644 . . . . 0.0 109.819 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.519 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 22.9 ttt180 -75.27 -51.42 13.32 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -168.55 176.16 5.85 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 141.99 13.37 Favored Glycine 0 N--CA 1.428 -1.898 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -140.09 120.09 13.62 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 122.079 0.942 . . . . 0.0 111.583 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 34.8 m -87.71 123.28 32.37 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 114.354 -1.294 . . . . 0.0 108.746 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -74.24 174.19 9.12 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.137 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.6 -19.25 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.293 0.568 . . . . 0.0 111.044 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.75 7.04 9.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.117 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 70.16 17.13 7.29 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.176 0.991 . . . . 0.0 112.05 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.14 133.36 45.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 66.9 m -80.03 108.3 13.5 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.693 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.25 115.26 29.96 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 170.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.6 m -107.0 123.66 48.51 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 121.923 0.868 . . . . 0.0 112.603 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -79.82 136.71 36.78 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.285 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB3' HD23 ' A' ' 30' ' ' LEU . 25.0 pttm -135.61 164.92 26.75 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.5 m-20 -99.19 140.89 32.68 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.002 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.21 -0.984 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p -103.1 130.88 50.39 Favored 'General case' 0 N--CA 1.418 -2.04 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.331 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.14 145.3 27.33 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -148.88 116.31 6.17 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -173.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.02 164.94 26.5 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.865 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 68.1 mt -71.28 139.45 49.98 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.716 0.769 . . . . 0.0 112.42 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.03 103.9 15.81 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.972 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.36 -18.89 47.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m -76.42 -20.44 57.09 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.89 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.19 121.41 27.04 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -102.56 111.66 24.07 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.112 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.65 169.75 17.83 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.465 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.52 144.54 14.26 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.644 2.229 . . . . 0.0 109.837 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.64 124.32 32.79 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.245 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.39 -42.26 4.86 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.384 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -112.46 120.07 40.38 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.1 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.52 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 32.9 m -54.93 -40.08 69.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.097 0.559 . . . . 0.0 111.658 -176.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.85 -36.93 56.53 Favored Glycine 0 C--N 1.336 0.562 0 O-C-N 123.252 0.345 . . . . 0.0 113.72 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -66.0 -34.18 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.597 0.713 . . . . 0.0 110.317 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -87.56 -38.55 15.88 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.86 0.838 . . . . 0.0 109.772 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.98 -44.82 94.24 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.756 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.53 -41.1 98.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.763 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.02 -60.44 3.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.424 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.5 m -69.64 -24.45 63.63 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 43.4 mtmt -80.24 -40.95 26.01 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.807 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -90.08 -50.16 6.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -75.68 -50.74 14.5 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.182 0.515 . . . . 0.0 110.323 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -86.63 -15.31 40.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.568 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.544 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 t-80 60.08 39.33 19.84 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 122.408 1.099 . . . . 0.0 110.979 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -98.24 -174.8 2.94 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.104 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -70.3 -54.59 11.97 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.1 m -159.26 166.71 30.72 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.2 121.65 4.16 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -122.81 144.78 48.96 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.893 0.854 . . . . 0.0 111.919 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 23.4 m -107.46 131.56 54.16 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.166 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -103.15 173.95 6.08 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.827 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -66.33 -13.1 60.03 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -12.52 61.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.734 1.214 . . . . 0.0 109.86 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 77.12 4.6 3.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.917 1.687 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -95.23 152.49 18.32 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.734 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 6' ' ' LEU . 3.5 m -93.75 115.9 28.36 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.715 178.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -104.41 116.34 31.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 76.8 m -102.3 126.77 49.4 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-O 121.572 0.701 . . . . 0.0 110.514 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.3 m -95.82 135.07 38.02 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.711 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -133.92 155.31 50.14 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.39 139.2 30.75 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.945 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.304 -1.409 0 C-N-CA 123.415 0.686 . . . . 0.0 109.255 -178.228 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 p -117.19 123.17 46.03 Favored 'General case' 0 N--CA 1.417 -2.124 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.256 169.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -106.76 123.19 47.78 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.676 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 44' ' ' THR . 35.5 tt0 -96.42 119.41 34.86 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.48 164.46 27.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.14 140.2 57.94 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.48 122.35 26.34 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.483 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -96.46 -38.1 10.16 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.211 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 m -75.73 -30.73 59.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.364 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.31 127.56 33.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -108.43 146.16 33.51 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.962 0.41 . . . . 0.0 110.494 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.63 162.34 36.04 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.65 166.43 29.8 Favored 'Trans proline' 0 C--O 1.244 0.807 0 C-N-CA 122.297 1.998 . . . . 0.0 110.918 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -87.78 100.87 13.17 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -90.7 -31.91 16.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 m -132.59 119.41 20.45 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -68.22 -24.78 64.97 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.13 -46.59 93.55 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -62.29 -35.07 77.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 110.457 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.21 -48.1 31.14 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.463 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -64.3 -39.9 94.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.808 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.17 -42.08 89.92 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.685 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -66.65 -54.61 21.37 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.531 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.56 -39.46 84.13 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.173 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.7 mttm -70.98 -60.1 2.42 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -82.04 -44.9 16.01 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.05 -50.57 14.41 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.062 0.458 . . . . 0.0 111.463 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.67 -6.86 42.34 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.4 m-70 63.94 28.9 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.9 0.88 . . . . 0.0 112.394 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD22 ' CB ' ' A' ' 45' ' ' LYS . 43.0 mt -94.93 -175.2 3.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -78.85 -59.16 2.89 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -150.2 158.79 44.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.137 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.88 104.96 1.53 Allowed Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 175.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -108.81 132.46 53.98 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 -174.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -96.4 132.04 42.33 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.101 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -107.1 -179.44 3.93 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.79 -37.7 60.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.949 1.3 . . . . 0.0 113.654 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.55 7.38 8.35 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.362 0.601 . . . . 0.0 111.481 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 65.85 6.27 3.88 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.835 1.254 . . . . 0.0 113.978 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -91.1 159.77 15.93 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -90.88 129.12 36.95 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.2 m-90 -115.88 109.34 17.48 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.292 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.7 123.87 32.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 2.0 m -80.43 109.8 15.28 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' CB ' HD22 ' A' ' 30' ' ' LEU . 21.8 pttp -115.47 166.33 12.01 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -82.94 133.1 35.13 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.519 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.286 -2.176 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.1 tptt . . . . . 0 C--O 1.199 -1.582 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -98.2 136.26 38.66 Favored 'General case' 0 N--CA 1.42 -1.931 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.493 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.4 m -116.04 137.0 52.51 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 35.7 tt0 -94.92 109.95 21.89 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 m120 -137.18 163.75 30.12 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.647 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.74 137.3 57.72 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.73 128.68 33.91 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.649 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -90.47 -39.34 12.67 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 m -69.54 -31.88 70.35 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 120.993 0.425 . . . . 0.0 110.91 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -80.45 87.22 5.69 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -101.72 96.4 7.06 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 177.96 33.33 Favored Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' CE1' ' A' ' 15' ' ' PHE . 59.1 Cg_endo -85.73 146.73 9.4 Favored 'Trans proline' 0 N--CA 1.431 -2.157 0 C-N-CA 121.81 1.673 . . . . 0.0 111.649 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 t -73.7 108.9 6.81 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.621 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 48.4 m-85 -87.55 -46.02 9.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.1 m -125.98 127.23 45.61 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.474 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.5 m -64.36 -32.37 73.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.504 0.193 . . . . 0.0 111.25 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.37 93.81 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.248 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -65.98 -35.2 79.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.243 0.617 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.93 -49.02 56.07 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.395 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.46 -46.92 80.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.57 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.7 -48.41 81.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.558 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.47 -54.55 44.15 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 122.639 0.376 . . . . 0.0 111.365 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.97 -29.84 70.29 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 46.3 mtpt -80.58 -42.31 22.53 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -89.31 -40.87 12.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -174.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -89.9 -50.42 6.04 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.174 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.66 -16.87 43.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.045 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 78.5 m80 64.35 26.62 13.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.141 0.977 . . . . 0.0 112.811 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -172.94 4.45 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.927 0.491 . . . . 0.0 110.78 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -72.07 -49.9 32.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.549 0.214 . . . . 0.0 110.861 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.2 p -168.61 173.16 7.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 126.16 6.36 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -115.52 135.97 53.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 60.2 m -99.3 126.48 45.15 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -109.8 170.67 7.92 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.67 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -50.09 -33.39 18.41 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.931 1.292 . . . . 0.0 113.712 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 3.23 6.48 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 70.6 -0.76 2.81 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.55 1.54 . . . . 0.0 113.819 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -96.75 158.0 15.63 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -86.42 122.43 30.36 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.411 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 2.0 m-90 -105.68 100.3 9.87 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -97.77 142.75 29.16 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.41 0.624 . . . . 0.0 110.9 -174.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -85.04 114.89 22.52 Favored 'General case' 0 N--CA 1.42 -1.955 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.553 -177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE3' ' OD1' ' A' ' 5' ' ' ASN . 22.6 pttp -114.25 158.51 21.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -89.31 126.25 35.44 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.236 0.541 . . . . 0.0 111.031 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.286 -2.16 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.491 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 C--O 1.207 -1.141 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 p -85.86 125.37 33.25 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.472 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 p -111.1 129.42 55.93 Favored 'General case' 0 C--N 1.275 -2.655 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.062 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.32 111.4 23.97 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -132.96 147.16 52.28 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.95 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.08 141.97 57.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -81.64 129.48 34.71 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.91 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -94.55 -36.85 11.65 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 m -71.89 -21.72 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.575 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -80.71 99.48 8.23 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -99.03 105.34 17.46 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.303 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.34 162.91 10.9 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.32 156.56 29.28 Favored 'Trans proline' 0 C--O 1.244 0.813 0 C-N-CA 122.523 2.148 . . . . 0.0 111.419 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 41.8 t -88.98 112.28 23.16 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.332 0.586 . . . . 0.0 111.498 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -104.52 -48.26 3.86 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -95.49 103.34 15.2 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.511 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 5.0 m -58.96 -36.8 75.42 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 124.155 0.982 . . . . 0.0 109.984 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.86 92.54 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.295 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -77.85 -28.79 50.22 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 t -71.87 -42.61 66.66 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -44.9 92.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.854 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.55 -35.82 81.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.761 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -64.54 -55.09 22.78 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.481 0.712 . . . . 0.0 110.368 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.0 m -59.96 -36.98 78.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.487 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 94.7 mttt -67.08 -57.2 7.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.68 -60.66 2.23 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -65.26 -43.69 90.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.164 0.507 . . . . 0.0 112.249 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.17 -5.22 44.5 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 63.24 24.49 14.34 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.003 0.921 . . . . 0.0 111.777 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 64.5 mt -95.28 179.86 5.03 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 120.764 0.316 . . . . 0.0 111.447 -175.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 44' ' ' THR . 55.4 ttt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.457 -176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -156.01 173.27 17.04 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.19 133.6 6.95 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.42 145.3 48.06 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.195 0.521 . . . . 0.0 111.159 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 53.0 m -107.42 115.6 30.44 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -91.98 -179.41 5.28 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.596 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.48 -34.69 17.58 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.394 1.477 . . . . 0.0 113.38 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.73 -0.83 19.43 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 68.42 14.86 9.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.321 0.648 . . . . 0.0 109.714 -173.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -101.08 153.23 19.73 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -92.92 116.9 29.47 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.16 107.77 18.18 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.653 174.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m -78.79 139.87 38.32 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 49.5 m -110.05 118.61 36.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -125.42 171.09 10.74 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -96.92 118.08 32.54 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.2 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.284 -2.279 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.561 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 p -117.9 139.21 51.45 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -124.23 152.73 42.59 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 29.2 tt0 -126.08 138.29 53.69 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -146.08 152.84 39.96 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.95 148.74 34.11 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.49 117.97 29.6 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.385 -1.28 . . . . 0.0 108.211 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.35 -44.15 30.45 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.475 0.71 . . . . 0.0 112.248 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -73.98 -33.96 64.04 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.337 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -68.42 114.39 6.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -115.13 135.57 54.05 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.626 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.29 167.85 16.8 Favored Glycine 0 C--N 1.299 -1.491 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -83.75 144.21 11.0 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.378 2.052 . . . . 0.0 111.052 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 t -72.22 112.38 8.25 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.264 0.554 . . . . 0.0 111.767 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -91.73 -66.58 0.92 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m -100.32 115.86 30.96 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -57.51 -34.1 68.73 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.58 -34.43 76.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.84 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -72.3 -35.3 68.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.377 0.608 . . . . 0.0 109.801 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.71 -41.57 68.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.519 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 23.8 t70 -63.8 -37.16 86.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 176.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -43.31 94.82 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.878 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 41.2 t60 -62.5 -47.8 82.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.772 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.77 -39.35 87.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE2' ' OD2' ' A' ' 21' ' ' ASP . 39.5 mttm -77.6 -53.72 7.24 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.965 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.25 -38.84 21.67 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 13.0 mptt -90.24 -50.79 5.78 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.362 -176.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -85.63 -12.53 51.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.7 m-70 63.76 29.29 14.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.86 0.864 . . . . 0.0 112.873 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.3 mt -97.85 -175.69 3.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.222 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -71.05 -55.46 8.21 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -156.14 171.43 20.17 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.5 142.07 13.24 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -131.26 150.19 52.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.546 0.689 . . . . 0.0 110.903 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.4 m -109.03 119.1 38.54 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -97.38 -178.8 4.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.587 -175.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.63 -13.52 32.7 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.466 1.107 . . . . 0.0 113.724 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.38 1.17 56.86 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.341 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 64.09 14.33 8.46 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.321 1.448 . . . . 0.0 113.238 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -100.77 162.39 12.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 m -89.81 126.5 35.71 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -117.55 116.88 27.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.129 177.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -92.19 133.71 35.54 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -92.85 130.89 38.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.816 0.846 . . . . 0.0 108.999 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.628 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 59.3 pttt -137.56 166.06 24.81 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -86.66 127.13 34.92 Favored 'General case' 0 CA--C 1.484 -1.583 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 33.6 m . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 118.188 -0.91 . . . . 0.0 109.155 -173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt . . . . . 0 CA--C 1.498 -1.036 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -126.11 148.03 49.47 Favored 'General case' 0 N--CA 1.406 -2.65 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -114.4 134.09 55.24 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' CD1' ' A' ' 42' ' ' TRP . 40.9 tt0 -97.27 115.75 28.22 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.395 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -134.68 143.05 47.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.577 0.351 . . . . 0.0 110.427 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.0 mt -59.33 138.2 57.72 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -177.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.583 ' HB1' ' SG ' ' A' ' 43' ' ' CYS . . . -87.81 103.25 15.46 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 172.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.97 -31.02 44.82 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.335 0.588 . . . . 0.0 110.546 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.473 HG21 ' NE2' ' A' ' 23' ' ' HIS . 11.8 t -77.9 -8.93 58.76 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.52 -178.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -81.6 113.41 19.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -96.64 135.53 38.44 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.073 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.95 -172.65 28.44 Favored Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.672 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -86.28 166.11 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 123.133 2.556 . . . . 0.0 110.994 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 t -77.26 109.59 11.27 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -77.69 -50.53 12.24 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -141.67 144.0 33.89 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -75.45 -13.76 60.4 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.96 -46.82 50.15 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -62.74 -42.74 99.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.45 -43.14 99.39 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.966 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' CG ' ' HZ1' ' A' ' 25' ' ' LYS . 22.3 t70 -60.99 -43.0 99.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.047 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.7 -40.87 92.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' NE2' HG21 ' A' ' 9' ' ' THR . 24.1 t60 -60.16 -47.96 83.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.386 176.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.51 -41.91 98.49 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.633 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 53.7 mttp -67.5 -45.05 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.12 -60.02 2.01 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 26.3 tptp -64.88 -50.05 68.09 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.087 0.555 . . . . 0.0 111.574 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -93.86 -13.74 26.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.316 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.633 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 35.5 t-80 53.19 63.75 2.11 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.857 1.263 . . . . 0.0 111.519 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.5 mt -121.29 -174.8 2.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.585 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -68.74 -56.82 6.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.453 0.644 . . . . 0.0 111.459 -175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -158.68 -177.29 6.42 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.166 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.83 135.23 5.98 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -136.46 119.93 16.99 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.155 0.502 . . . . 0.0 109.912 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.0 140.64 50.89 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -107.11 -178.66 3.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.486 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -57.68 -27.64 63.08 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.468 1.107 . . . . 0.0 112.905 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -71.55 -4.83 29.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.803 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 67.22 14.41 9.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.349 1.059 . . . . 0.0 112.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -106.02 164.76 11.71 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 m -88.73 122.93 32.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 4' ' ' GLU . 3.6 m-90 -113.39 126.09 54.97 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.257 173.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.583 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 78.0 m -98.31 146.28 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.094 0.473 . . . . 0.0 110.217 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -95.51 113.42 25.08 Favored 'General case' 0 C--N 1.287 -2.109 0 C-N-CA 124.015 0.926 . . . . 0.0 108.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -109.82 151.71 26.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.14 133.27 39.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.1 0.476 . . . . 0.0 112.146 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.485 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 tttp . . . . . 0 C--O 1.217 -0.624 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -108.41 126.16 52.57 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.804 -0.56 . . . . 0.0 110.588 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 m -115.63 118.38 32.93 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.719 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -89.65 114.54 26.17 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.35 151.72 51.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.31 135.82 57.85 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.1 99.58 11.84 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.576 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -95.35 -10.88 28.85 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m -68.94 -39.55 79.49 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.428 -1.26 . . . . 0.0 107.8 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -72.89 130.81 41.25 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -79.61 104.89 10.52 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.429 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -172.23 38.74 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.778 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.98 -179.84 4.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.419 2.746 . . . . 0.0 111.761 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.1 t -93.44 106.99 18.9 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -96.53 -25.82 15.5 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -140.97 118.62 11.63 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.291 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 18.2 m -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.821 0.848 . . . . 0.0 111.144 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.62 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.932 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -71.28 -40.56 70.84 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.64 -49.88 64.77 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.927 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.33 -41.27 89.86 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.798 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.66 -42.09 92.08 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.732 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 22.5 t60 -62.55 -56.26 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.757 -178.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.84 -32.14 73.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -80.0 -60.92 2.15 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.006 0.432 . . . . 0.0 111.573 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.06 -39.49 55.34 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 28.4 tptp -85.13 -50.49 7.37 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 122.407 -0.183 . . . . 0.0 111.39 -177.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -96.04 -7.44 36.22 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.82 35.46 6.7 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.739 0.78 . . . . 0.0 111.385 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.39 179.77 4.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -72.51 -55.8 6.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.0 m -160.57 168.07 25.77 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.9 125.82 5.97 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -123.04 139.78 53.72 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.449 0.642 . . . . 0.0 111.602 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.0 m -93.33 115.05 27.63 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.67 -179.3 4.55 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.021 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.89 -37.64 44.9 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.966 1.306 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -1.76 8.73 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.167 0.587 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 71.28 6.0 5.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.904 1.282 . . . . 0.0 109.405 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -90.72 148.54 22.52 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.704 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 62.4 m -82.89 110.46 17.91 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.179 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.08 105.44 15.61 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 173.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.9 m -104.44 138.4 40.9 Favored 'General case' 0 C--N 1.279 -2.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 m -86.61 122.8 31.04 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.232 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -108.86 146.41 33.75 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -85.11 117.19 23.91 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? . . . . . 0 C--O 1.21 -0.987 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -103.24 133.6 48.06 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -140.41 148.29 41.0 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 34.8 tt0 -97.01 133.75 41.28 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -153.09 153.37 32.7 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.51 143.31 29.95 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.725 ' HB1' ' SG ' ' A' ' 43' ' ' CYS . . . -87.56 111.03 20.8 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.786 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.83 -39.72 76.28 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.386 0.612 . . . . 0.0 110.204 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 m -69.87 -23.35 63.26 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.769 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.94 108.14 9.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -94.69 117.39 30.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.52 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.03 -170.48 14.6 Favored Glycine 0 C--N 1.303 -1.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.654 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.75 166.61 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 123.273 2.649 . . . . 0.0 111.957 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -83.68 117.18 23.03 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.045 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -97.58 -32.51 11.76 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -139.83 122.65 16.52 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.565 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 23.3 m -58.58 -40.98 84.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.982 0.513 . . . . 0.0 111.326 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.74 -33.02 86.12 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.48 -0.39 . . . . 0.0 112.762 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 t -72.66 -31.3 64.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.575 0.702 . . . . 0.0 109.133 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.58 -46.01 56.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.282 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 33.2 t70 -56.86 -40.61 76.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.755 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.829 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.73 -50.8 70.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.848 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.52 -38.16 90.06 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.127 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 7.8 mtpm? -77.87 -45.5 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.46 -60.3 2.03 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.7 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -71.37 -47.08 58.52 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.008 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.51 -8.14 55.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 61.38 27.91 17.44 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.986 0.514 . . . . 0.0 112.093 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.3 mt -103.4 177.31 4.88 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 51.8 ttt180 -66.38 -57.29 7.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -155.04 166.04 34.83 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 122.088 -0.383 . . . . 0.0 110.114 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.78 124.85 5.52 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -124.25 127.16 47.26 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.0 m -81.81 127.63 33.18 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -103.77 178.83 4.45 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.274 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.57 -21.19 62.31 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.067 0.947 . . . . 0.0 113.14 -173.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -83.14 1.96 37.86 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.29 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 68.45 4.79 4.43 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.395 1.478 . . . . 0.0 113.731 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -95.56 162.14 13.76 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 m -93.0 125.39 37.56 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 1.9 m-90 -111.11 120.49 42.51 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.27 176.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.725 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 38.1 m -104.04 141.19 36.64 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 m -83.55 109.05 17.07 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -110.33 170.92 7.77 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 -176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -100.59 129.44 46.52 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.275 -2.668 0 C-N-CA 123.444 0.697 . . . . 0.0 109.217 178.295 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 p -126.32 129.88 49.73 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.058 0.456 . . . . 0.0 110.923 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.5 m -117.67 139.16 51.39 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -89.74 122.21 32.62 Favored 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -151.93 157.18 41.44 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.599 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.63 138.79 51.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.7 135.13 57.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.224 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.91 -51.31 6.46 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.198 -170.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.453 ' HB ' ' NE2' ' A' ' 23' ' ' HIS . 6.2 m -89.23 -21.87 23.03 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.196 0.522 . . . . 0.0 110.63 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 27.7 t80 -79.76 94.81 5.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -104.67 11.16 34.38 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.517 0.675 . . . . 0.0 111.587 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.76 179.23 28.93 Favored Glycine 0 C--N 1.286 -2.205 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.775 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -94.74 140.48 1.21 Allowed 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 123.172 2.581 . . . . 0.0 111.094 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.2 120.81 28.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -113.79 -50.76 2.82 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -93.82 115.59 28.01 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 m -60.95 -33.89 73.89 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.91 -36.23 79.45 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.25 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -65.77 -40.11 91.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.533 0.682 . . . . 0.0 110.158 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -71.13 -39.33 72.06 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.65 -44.29 90.94 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.181 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.79 -47.15 85.74 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.779 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 62.5 t60 -62.6 -60.02 4.11 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.796 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.99 -27.11 67.17 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.62 -60.7 2.25 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.652 -0.655 . . . . 0.0 111.994 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -90.04 -44.44 9.84 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -76.43 -41.57 47.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.51 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.97 -31.24 14.35 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 66.45 62.32 0.55 Allowed 'General case' 0 C--O 1.245 0.839 0 CA-C-O 122.897 1.332 . . . . 0.0 110.512 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.28 -178.33 3.39 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 175.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -72.5 -40.05 67.17 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 118.23 0.468 . . . . 0.0 111.691 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -170.05 168.47 8.47 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.72 117.43 2.35 Favored Glycine 0 CA--C 1.499 -0.949 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -113.74 125.26 53.91 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.317 0.58 . . . . 0.0 109.627 -172.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.441 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.9 m -84.41 131.38 34.68 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.585 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -111.17 178.08 4.45 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.48 -16.04 63.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.22 6.82 24.32 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.141 -0.349 . . . . 0.0 111.466 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 69.98 -0.35 2.78 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -100.09 157.63 16.43 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.65 130.44 39.58 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.59 108.75 20.41 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 170.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.8 m -110.12 136.61 49.08 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.376 -175.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.1 m -79.29 115.69 19.09 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 120.971 0.415 . . . . 0.0 110.173 -177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -117.0 165.96 12.74 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.61 144.64 30.18 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.637 179.553 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 121.371 0.605 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 p -140.53 145.34 36.69 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.885 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 p -140.98 139.81 34.28 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 32.7 tt0 -96.69 118.04 32.29 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -139.83 168.27 20.2 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.42 HD22 ' HG3' ' A' ' 40' ' ' ARG . 76.0 mt -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.144 0.497 . . . . 0.0 112.161 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 146.52 49.27 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.574 -1.194 . . . . 0.0 109.936 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.34 -45.14 5.96 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -103.34 -12.69 17.06 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.14 114.0 4.93 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -102.27 131.11 49.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.249 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.24 173.71 34.22 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.61 171.26 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.349 2.033 . . . . 0.0 111.567 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 t -82.94 113.36 20.49 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.41 -41.9 8.0 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -127.94 122.64 32.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.544 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 60.9 m -58.45 -35.7 72.53 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.37 -37.42 93.1 Favored Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.985 -0.341 . . . . 0.0 112.642 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -71.89 -38.96 69.9 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.045 0.538 . . . . 0.0 110.88 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -64.18 -48.79 74.58 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.862 0.839 . . . . 0.0 109.103 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.81 -39.98 91.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.897 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.51 -54.1 50.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.741 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -60.96 -49.84 75.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.064 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.85 -35.53 76.79 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.31 -45.73 17.35 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.797 -0.564 . . . . 0.0 111.335 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -77.14 -56.17 4.8 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -83.95 -46.65 11.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.416 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.1 -11.32 50.5 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.3 m80 60.61 37.8 19.12 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.571 0.701 . . . . 0.0 111.583 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -95.01 -178.21 4.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -73.5 -54.99 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 p -158.57 168.31 27.27 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.65 135.18 10.01 Favored Glycine 0 CA--C 1.499 -0.907 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 77.8 mtp180 -127.76 143.42 51.13 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.515 0.674 . . . . 0.0 110.833 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.3 m -105.19 106.33 16.77 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -84.94 -179.74 7.13 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.468 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.73 -31.74 66.75 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -78.32 -4.22 46.95 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.814 0.34 . . . . 0.0 111.489 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 68.48 0.86 2.72 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.896 1.278 . . . . 0.0 114.164 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.42 ' HG3' HD22 ' A' ' 6' ' ' LEU . 26.0 tpt180 -82.86 144.88 29.78 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.62 114.72 16.75 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -101.38 102.64 13.49 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.75 139.21 38.64 Favored 'General case' 0 C--N 1.266 -3.029 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.765 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -79.11 112.47 16.35 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 19.6 ptmt -112.72 159.31 19.06 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.805 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.05 121.42 27.39 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.558 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 27.2 m . . . . . 0 C--N 1.281 -2.379 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.508 -0.661 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -90.74 145.55 24.71 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.077 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -117.48 118.72 32.95 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -102.29 109.93 21.74 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.72 169.93 16.93 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.709 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.19 147.26 53.3 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . . . -76.42 137.95 40.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.163 175.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.69 -50.15 5.9 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.476 HG22 ' OE1' ' A' ' 28' ' ' GLU . 12.2 t -91.13 -2.99 57.46 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.031 -174.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.42 112.46 8.5 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -99.52 126.63 45.51 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 120.946 0.403 . . . . 0.0 110.342 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.13 179.71 27.45 Favored Glycine 0 N--CA 1.424 -2.133 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.388 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -89.86 171.9 3.94 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 122.622 2.215 . . . . 0.0 111.452 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -87.98 120.18 29.07 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.731 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.64 -43.65 4.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -113.95 110.84 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.51 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.2 m -58.97 -36.26 74.56 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -28.57 72.9 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -74.13 -36.7 64.2 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -65.0 -47.26 78.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.053 177.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.31 -42.34 95.34 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 0.0 110.279 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.97 -43.46 98.75 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.57 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.58 -44.98 92.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.909 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.8 m -58.62 -34.6 71.34 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 96.5 mttt -80.1 -39.36 29.74 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -90.28 -51.34 5.48 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -175.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -84.91 -45.03 12.62 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.371 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' OE1' HG22 ' A' ' 9' ' ' THR . 34.3 mm-40 -80.51 -20.84 42.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.281 177.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 67.08 30.81 7.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.148 0.979 . . . . 0.0 111.948 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 60.3 mt -106.59 178.38 4.58 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 120.767 0.318 . . . . 0.0 111.155 -176.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 32.8 ttt180 -57.69 -57.68 11.66 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.159 0.984 . . . . 0.0 112.531 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.3 m -158.4 -169.54 2.79 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.569 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -169.02 164.67 38.29 Favored Glycine 0 CA--C 1.484 -1.904 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -154.03 177.18 11.35 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.114 0.483 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 21.4 m -113.98 138.58 50.17 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -110.3 -178.74 3.58 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.609 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.48 -30.21 28.84 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.863 1.665 . . . . 0.0 112.908 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.23 -4.91 52.88 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.617 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.06 10.81 6.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.711 1.204 . . . . 0.0 111.635 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -92.6 151.66 20.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.1 m -84.05 125.73 32.38 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -113.01 104.95 12.9 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 113.801 -1.545 . . . . 0.0 107.481 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 7' ' ' ALA . 67.5 m -88.31 146.52 25.26 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 19.9 m -112.9 124.31 52.31 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -121.92 160.46 24.75 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 93.9 m-20 -83.91 131.38 34.86 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 C--N 1.286 -2.193 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.01 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -107.08 160.26 15.7 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.46 120.7 9.54 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.579 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -130.04 164.26 24.71 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.472 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD22 ' HG3' ' A' ' 40' ' ' ARG . 41.6 mt -68.89 138.2 54.48 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -70.54 115.51 9.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.04 -39.05 30.64 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.19 -0.604 . . . . 0.0 112.492 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' NE2' ' A' ' 23' ' ' HIS . 9.7 t -86.67 11.78 12.17 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.285 0.564 . . . . 0.0 111.014 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -100.95 98.19 8.69 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.64 119.4 39.04 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.23 174.45 13.67 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -84.86 157.34 11.74 Favored 'Trans proline' 0 N--CA 1.444 -1.396 0 C-N-CA 122.763 2.309 . . . . 0.0 112.226 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 t -86.0 110.28 19.37 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.199 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -97.82 -24.32 15.49 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.499 0.666 . . . . 0.0 110.064 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -141.12 121.78 14.27 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.6 m -59.71 -35.2 74.04 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.0 88.36 Favored Glycine 0 CA--C 1.521 0.429 0 O-C-N 123.271 0.357 . . . . 0.0 112.306 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -65.39 -45.69 83.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.84 0.829 . . . . 0.0 110.551 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.21 -46.75 88.67 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.696 1.199 . . . . 0.0 109.729 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.512 ' NE2' HG23 ' A' ' 9' ' ' THR . 36.0 t60 -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.874 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.28 -33.51 75.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.71 -46.17 32.64 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.33 -52.74 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.088 0.774 . . . . 0.0 113.088 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.44 -50.49 10.02 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -80.45 -17.07 52.81 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.26 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.9 t60 66.85 31.33 7.34 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 122.371 1.082 . . . . 0.0 110.297 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.03 -171.62 1.95 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.047 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 46.8 ttt180 -71.77 -57.53 4.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.9 m -156.64 178.94 9.76 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -138.54 135.59 7.52 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -126.09 139.53 53.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.8 m -93.52 136.31 33.92 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.17 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 mmm180 -87.47 171.58 10.43 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.582 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.29 -27.7 68.13 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.671 0.748 . . . . 0.0 109.647 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.61 8.08 10.66 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.939 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.28 2.34 3.96 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.862 1.665 . . . . 0.0 114.523 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' HD22 ' A' ' 6' ' ' LEU . 12.0 tpp180 -88.88 151.2 22.49 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.775 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -91.78 122.04 33.96 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -108.44 118.87 37.91 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 172.763 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 55.9 m -93.03 122.18 35.14 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.601 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 10.6 m -79.69 130.69 35.57 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -131.52 158.5 40.77 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -88.26 151.41 22.67 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.293 -1.891 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.292 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.415 -2.204 0 CA-C-O 121.793 0.806 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 2.0 p -120.95 166.01 14.42 Favored 'General case' 0 C--N 1.267 -3.019 0 CA-C-N 114.501 -1.227 . . . . 0.0 107.925 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -131.87 134.24 45.5 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.359 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -142.06 160.82 39.45 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.38 144.25 57.3 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.115 0.483 . . . . 0.0 111.057 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.92 113.81 11.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.39 -42.19 23.26 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.085 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -69.99 -34.32 73.18 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.594 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -80.99 92.84 6.25 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -92.26 83.87 5.12 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.109 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.25 -179.7 36.51 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.702 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.78 159.62 12.09 Favored 'Trans proline' 0 N--CA 1.444 -1.383 0 C-N-CA 122.974 2.449 . . . . 0.0 111.75 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.5 t -85.52 98.8 10.83 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.705 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -80.78 -35.99 32.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.563 0.697 . . . . 0.0 109.415 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -131.85 123.15 26.94 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.645 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 39.2 m -59.86 -38.45 82.18 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.477 0.486 . . . . 0.0 111.686 -176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.3 -42.78 97.51 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.647 0.592 . . . . 0.0 111.697 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -63.5 -45.29 91.34 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.468 0.707 . . . . 0.0 111.264 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.97 -48.17 72.14 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.784 0.802 . . . . 0.0 110.166 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 31.0 t70 -58.69 -46.12 87.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.949 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.72 -45.93 92.35 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.49 -49.93 75.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.034 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -69.73 -33.57 72.66 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.6 ptpt -80.15 -33.62 38.32 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.647 -0.821 . . . . 0.0 113.095 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.2 -60.7 1.86 Allowed 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -67.09 -48.55 67.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.791 0.329 . . . . 0.0 111.639 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.38 -10.21 50.09 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 60.61 29.74 19.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.398 1.079 . . . . 0.0 110.449 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.35 179.68 6.84 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.252 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -66.8 -57.23 7.46 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.116 0.484 . . . . 0.0 110.075 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -160.45 168.27 25.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.38 126.33 6.61 Favored Glycine 0 CA--C 1.489 -1.592 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.9 140.73 48.75 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.905 0.859 . . . . 0.0 110.96 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.645 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 54.2 m -100.21 115.65 30.38 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.897 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 17.8 mmm180 -74.31 169.62 17.26 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.671 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.22 -9.43 58.61 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.137 0.97 . . . . 0.0 109.673 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.92 -8.19 59.59 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.185 -1.37 . . . . 0.0 107.857 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 68.87 3.94 4.22 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.184 1.794 . . . . 0.0 113.624 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -92.71 156.7 16.87 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 55.6 m -91.48 118.49 30.61 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -111.14 112.66 24.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.18 133.93 51.75 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-O 121.315 0.579 . . . . 0.0 110.878 -174.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 m -79.6 117.85 20.9 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.696 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -109.89 161.29 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.294 -175.05 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -99.89 121.79 41.86 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.641 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.281 -2.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.075 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.413 -2.279 0 CA-C-O 121.18 0.514 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -115.47 172.03 7.35 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.992 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 125.63 16.84 Favored 'General case' 0 N--CA 1.425 -1.717 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.45 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -134.07 164.59 27.0 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 40' ' ' ARG . 46.7 mt -61.71 138.73 58.34 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 123.513 0.508 . . . . 0.0 112.22 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 132.76 53.67 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.59 -50.69 6.64 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 123.421 0.451 . . . . 0.0 111.732 -172.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.253 71.0 p -92.44 -14.93 27.83 Favored 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 118.175 -1.41 . . . . 0.0 113.273 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 46.7 t80 -83.95 92.95 7.94 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -99.97 115.43 29.66 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.033 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.08 176.62 14.62 Favored Glycine 0 N--CA 1.419 -2.441 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.23 159.85 29.7 Favored 'Trans proline' 0 N--CA 1.442 -1.503 0 C-N-CA 122.627 2.218 . . . . 0.0 111.984 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 44.3 t -94.89 114.12 25.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.237 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -100.81 -31.64 11.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -133.71 113.66 12.58 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.458 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 13.2 t -64.83 -27.83 69.14 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.492 -174.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.96 82.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -72.93 -42.54 63.37 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.24 -48.68 77.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.72 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.14 -46.06 89.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.856 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.79 -50.32 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 17.6 t60 -61.85 -44.31 97.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 95.6 m -65.86 -28.2 68.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 90.3 mttt -80.25 -49.35 11.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.037 0.446 . . . . 0.0 110.921 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -77.66 -49.22 14.96 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -90.03 -50.08 6.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.205 0.526 . . . . 0.0 110.997 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.9 mm-40 -79.15 -16.22 56.95 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.689 -175.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.9 m80 55.93 40.62 30.47 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.846 0.832 . . . . 0.0 112.527 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 45' ' ' LYS . 48.6 mt -103.31 -178.2 3.59 Favored 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.09 -43.18 29.81 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -163.66 165.07 23.7 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.03 122.48 4.84 Favored Glycine 0 N--CA 1.438 -1.178 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -117.88 145.42 44.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.312 0.577 . . . . 0.0 109.882 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.6 m -109.39 121.18 44.61 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -85.99 -179.61 6.81 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -75.0 -2.91 29.39 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.735 0.779 . . . . 0.0 110.544 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.06 -10.04 57.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 72.58 -0.44 3.31 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.078 1.751 . . . . 0.0 113.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 6' ' ' LEU . 9.1 tpt180 -93.67 152.9 18.67 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.35 118.11 20.96 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.14 109.6 20.17 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 171.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.2 137.55 43.95 Favored 'General case' 0 C--N 1.276 -2.595 0 CA-C-O 121.372 0.606 . . . . 0.0 111.447 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -78.88 126.81 31.2 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.9 -175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 30' ' ' LEU . 19.2 ptmt -125.13 147.79 48.86 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.536 -176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -84.69 123.74 30.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.993 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 p -144.63 145.1 31.6 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.09 0.471 . . . . 0.0 110.473 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.615 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 24.1 tt0 -89.63 110.47 21.34 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -133.85 150.19 51.38 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.054 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -46.53 135.78 8.18 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.62 127.75 32.83 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.74 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -84.9 -50.41 7.54 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.662 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 m -81.43 -31.5 33.08 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.607 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -80.73 94.65 6.42 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -96.12 16.76 17.2 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.38 0.61 . . . . 0.0 112.552 -174.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.67 173.9 15.0 Favored Glycine 0 C--N 1.28 -2.539 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.395 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -75.45 157.74 40.74 Favored 'Trans proline' 0 C--O 1.253 1.241 0 C-N-CA 122.614 2.209 . . . . 0.0 110.782 172.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.0 t -100.89 132.53 46.25 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.667 179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.81 -61.72 1.33 Allowed 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -98.96 123.75 43.46 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.737 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 85.3 m -54.52 -42.2 70.56 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.897 0.38 . . . . 0.0 111.809 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.68 -22.61 66.29 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.818 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -77.78 -40.37 41.0 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 120.875 0.369 . . . . 0.0 110.094 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -77.08 -34.96 56.94 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.95 -45.82 89.54 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.99 -41.02 86.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.323 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -67.02 -47.97 69.79 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 94.8 m -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.0 mmtt -72.74 -53.07 12.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.126 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -81.87 -51.63 7.91 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.73 -48.11 9.13 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.013 -175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.5 mm-40 -79.96 -20.58 45.23 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.417 -177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.0 m80 61.02 31.92 19.88 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.675 0.79 . . . . 0.0 110.915 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 44' ' ' THR . 78.9 mt -90.65 177.05 6.45 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.913 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -65.88 -42.01 90.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.193 0.308 . . . . 0.0 110.841 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -172.72 176.02 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.036 0.534 . . . . 0.0 110.128 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.39 130.23 5.33 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.615 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 56.9 mtp180 -120.48 137.02 54.58 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.929 0.871 . . . . 0.0 111.967 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.2 m -100.46 105.44 16.91 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.859 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.336 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.17 -23.21 67.33 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.897 0.856 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.61 -15.39 63.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.173 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 73.87 -0.4 3.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 126.044 1.738 . . . . 0.0 111.153 -175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.01 148.48 22.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 98.1 m -90.52 120.34 31.54 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.6 m-90 -108.25 108.62 19.72 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -105.73 146.85 29.26 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.416 0.627 . . . . 0.0 111.525 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 2.4 m -78.97 108.52 12.5 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.175 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.9 ptpt -127.65 175.22 8.45 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.962 0.411 . . . . 0.0 111.003 -176.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.61 137.61 36.26 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.982 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.279 -2.487 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.642 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.411 -2.385 0 CA-C-O 121.68 0.753 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.621 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 6.8 p -111.03 114.55 27.93 Favored 'General case' 0 C--N 1.275 -2.657 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 11.1 tt0 -90.17 110.24 21.28 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -128.94 148.49 50.94 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.976 -168.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.64 140.5 41.04 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.89 104.53 16.59 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.427 -1.261 . . . . 0.0 108.355 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.52 -26.85 37.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.572 0.701 . . . . 0.0 109.445 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -38.5 79.02 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.264 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -87.03 79.76 8.6 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -85.0 108.48 17.62 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.848 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.38 158.72 8.48 Favored Glycine 0 N--CA 1.416 -2.674 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -74.19 158.22 45.43 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 122.27 1.98 . . . . 0.0 111.18 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.8 t -83.08 98.53 9.35 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.97 -33.74 18.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.431 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 27.4 m -131.41 121.52 24.73 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 27.8 m -65.36 -35.44 80.97 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.6 73.78 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.948 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.431 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 11.9 p -71.51 -34.57 70.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 117.2 0.5 . . . . 0.0 111.619 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.68 -50.84 69.55 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.403 0.621 . . . . 0.0 109.632 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.26 -45.36 93.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.689 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.45 -44.16 96.12 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.637 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -62.36 -51.13 68.84 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 120.818 0.342 . . . . 0.0 110.137 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.36 -29.67 70.74 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 62.4 mtpt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -89.93 -40.97 12.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -90.11 -50.28 6.09 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 22.2 mm-40 -78.77 -19.81 51.35 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.945 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 m80 63.01 30.05 16.36 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.097 0.959 . . . . 0.0 111.47 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 28' ' ' GLU . 68.4 mt -88.74 179.12 6.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.548 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -71.6 -44.85 63.7 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -164.42 165.36 21.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.84 122.95 4.89 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.04 136.01 53.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.92 0.867 . . . . 0.0 112.725 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 56.1 m -93.8 113.55 25.62 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.823 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 14.5 mmt85 -87.46 177.25 7.15 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.797 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -48.07 -37.12 14.4 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.592 1.557 . . . . 0.0 113.593 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -84.82 8.36 17.58 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 67.83 18.57 9.67 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.808 0.843 . . . . 0.0 111.963 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -93.6 152.69 18.85 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.622 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.84 105.16 17.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.799 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -101.68 103.66 14.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 173.099 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -95.5 141.33 29.16 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-O 121.341 0.591 . . . . 0.0 111.02 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -79.34 109.0 13.29 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.171 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.621 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 18.2 ptpt -118.36 171.86 7.85 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.476 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -100.61 125.37 46.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 120.983 0.421 . . . . 0.0 111.45 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.289 -2.065 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.622 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -125.74 125.38 42.89 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.9 tt0 -89.94 109.32 20.35 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -134.83 150.09 50.44 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.63 137.91 58.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.13 139.34 50.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.683 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.32 -47.65 4.86 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.713 -174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -75.82 -20.68 57.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.002 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -74.0 128.04 34.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -115.92 139.39 50.28 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.615 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.41 -176.91 34.41 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.754 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.88 166.91 13.03 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 C-N-CA 122.705 2.27 . . . . 0.0 110.965 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 37.1 t -86.96 106.41 17.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.084 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.84 -55.61 3.49 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 m -108.49 110.84 22.44 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 11.8 t -62.32 -31.55 72.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.477 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.4 -39.81 97.24 Favored Glycine 0 N--CA 1.435 -1.405 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -69.89 -38.57 76.38 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 t -61.44 -47.57 85.14 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.457 0.646 . . . . 0.0 109.447 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -46.48 87.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.55 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.46 -42.86 99.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.158 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 87.6 m -68.03 -30.22 69.39 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.21 -41.17 61.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.868 0.365 . . . . 0.0 111.307 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.2 -60.13 2.09 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -81.13 -44.81 17.36 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 120.742 0.306 . . . . 0.0 111.555 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 4.9 mm-40 -79.09 -15.62 57.92 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.124 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.9 m80 58.91 30.01 19.62 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.87 0.868 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -94.34 -172.09 2.69 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.686 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 33.6 ttt180 -84.72 -43.94 13.84 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 120.572 0.225 . . . . 0.0 110.626 -174.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -161.94 174.69 12.74 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.79 128.17 4.33 Favored Glycine 0 N--CA 1.435 -1.407 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -131.63 149.55 52.46 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.658 0.742 . . . . 0.0 110.606 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.4 m -111.48 121.01 44.07 Favored 'General case' 0 C--N 1.282 -2.339 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.157 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -85.69 175.35 8.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.989 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.53 -15.22 60.56 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 122.138 0.971 . . . . 0.0 111.096 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.03 -17.14 64.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.606 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 69.88 15.38 7.88 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.234 1.414 . . . . 0.0 111.165 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -105.44 147.13 28.6 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -82.11 114.17 20.47 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -105.91 113.43 26.98 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 174.18 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.9 m -109.57 140.19 43.67 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-O 121.613 0.721 . . . . 0.0 111.432 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -79.86 116.19 19.87 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.476 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -109.51 148.62 30.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.573 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.5 m-20 -83.6 126.99 33.41 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.011 0.434 . . . . 0.0 111.089 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.266 1.938 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.264 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 44' ' ' THR . 25.2 p . . . . . 0 N--CA 1.434 -1.273 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -140.18 149.08 42.51 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.67 127.25 56.06 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -142.59 160.47 40.23 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.6 137.87 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.98 131.59 46.18 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.524 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.68 -50.34 7.73 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 m -75.8 -24.83 55.95 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.823 -0.548 . . . . 0.0 110.823 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 30.2 t80 -82.92 80.02 9.11 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.907 0.86 . . . . 0.0 109.502 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -90.48 108.62 19.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.36 172.25 21.39 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.72 153.29 13.32 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 122.657 2.238 . . . . 0.0 110.858 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -89.02 114.32 25.51 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.698 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.6 -39.09 8.06 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.404 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 6.8 m -120.81 111.47 17.61 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 8.8 t -59.51 -33.74 71.73 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.42 -35.64 92.32 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.404 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 19.8 m -65.96 -42.61 89.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.265 0.555 . . . . 0.0 109.588 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.18 -49.12 75.52 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.189 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.09 -37.93 86.91 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.23 -51.02 63.58 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 41.7 t60 -59.75 -51.35 70.15 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.046 0.841 . . . . 0.0 110.888 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 90.4 m -63.42 -45.25 91.84 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -78.69 -35.58 44.84 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -90.62 -60.68 1.85 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -76.26 -44.07 38.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.862 0.363 . . . . 0.0 111.385 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 5.9 mm-40 -79.05 -13.14 59.95 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.759 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 m80 57.16 43.55 23.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 123.872 0.869 . . . . 0.0 112.737 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 45' ' ' LYS . 51.5 mt -101.23 -177.17 3.37 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -80.55 -49.26 11.57 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -154.69 162.38 41.15 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.45 130.66 4.68 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.44 153.35 50.13 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.808 0.813 . . . . 0.0 111.208 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.4 m -94.81 130.01 41.55 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.356 -177.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -104.61 -178.57 3.69 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.163 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.32 -44.94 11.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.847 1.659 . . . . 0.0 112.919 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -79.06 6.39 9.56 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.002 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 68.78 12.38 8.64 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 124.539 1.135 . . . . 0.0 111.756 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -98.22 154.08 18.03 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.9 m -88.04 118.08 27.35 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -103.17 115.93 31.51 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 171.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.9 m -120.32 136.7 54.6 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-O 121.414 0.626 . . . . 0.0 111.343 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 2' ' ' THR . 24.9 m -79.9 123.96 28.24 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.131 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' CB ' HD22 ' A' ' 30' ' ' LEU . 18.6 ptmt -122.34 159.05 28.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.174 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -92.96 127.45 38.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.171 0.51 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.292 -1.928 0 C-N-CA 124.424 1.089 . . . . 0.0 108.865 -179.665 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.443 HG21 HH11 ' A' ' 31' ' ' ARG . 24.5 p . . . . . 0 N--CA 1.43 -1.437 0 CA-C-O 121.495 0.664 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.2 m -87.74 148.0 24.94 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.077 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' OE1' ' HD2' ' A' ' 34' ' ' ARG . 28.4 tt0 -116.68 109.68 17.49 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.85 136.98 53.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.299 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 136.05 57.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -80.53 112.66 18.1 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.232 176.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -72.4 -32.85 66.73 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -69.05 -29.02 67.07 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.271 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.44 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 35.9 t80 -85.88 83.15 7.89 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -92.69 88.72 6.37 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.1 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.47 171.98 26.02 Favored Glycine 0 N--CA 1.424 -2.16 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.59 150.91 22.04 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.725 2.284 . . . . 0.0 111.39 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 41.3 t -76.14 108.61 9.18 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.036 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.63 -27.6 14.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.581 0.705 . . . . 0.0 109.656 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -140.17 121.78 15.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.3 t -67.82 -31.02 70.59 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 120.722 0.296 . . . . 0.0 110.789 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.78 -36.56 93.51 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 m -70.16 -30.41 67.54 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.073 0.464 . . . . 0.0 109.819 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.14 -46.14 57.71 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.54 -51.28 69.17 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.714 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.69 -42.23 92.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.369 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.46 -55.68 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.639 0.776 . . . . 0.0 110.406 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.71 -29.51 70.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.035 0.445 . . . . 0.0 111.972 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 48.0 mtpt -80.13 -48.83 12.59 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -91.03 -33.61 15.45 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -87.82 -51.16 6.0 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.079 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -85.52 -14.74 45.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.636 -177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.3 m80 63.49 34.6 12.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.051 0.941 . . . . 0.0 111.53 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 87.9 mt -103.95 -179.92 4.09 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.28 -177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 2' ' ' THR . 68.5 ttt180 -57.64 -52.31 65.94 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.594 0.758 . . . . 0.0 111.905 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -169.37 -174.54 1.98 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.53 161.12 26.58 Favored Glycine 0 N--CA 1.43 -1.758 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD2' ' OE1' ' A' ' 4' ' ' GLU . 5.1 ptp180 -155.66 147.48 23.2 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 117.305 0.553 . . . . 0.0 110.576 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.0 m -104.06 113.26 26.68 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.7 mmt180 -84.44 -179.27 7.13 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.46 -20.54 31.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.259 1.024 . . . . 0.0 113.319 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.24 13.94 8.72 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.255 -0.278 . . . . 0.0 111.478 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 50.1 27.39 2.51 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.922 1.689 . . . . 0.0 114.221 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -115.87 165.64 12.86 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 m -95.57 122.75 38.65 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ3' ' HB2' ' A' ' 36' ' ' ARG . 5.3 m-90 -106.71 118.92 37.93 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.029 -1.441 . . . . 0.0 107.131 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 80.7 m -87.53 138.7 31.24 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 m -95.58 120.53 36.0 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 19.5 ptmt -132.83 148.51 52.31 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.303 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.45 137.13 38.5 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 120.826 0.345 . . . . 0.0 111.014 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.291 -1.969 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.35 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.41 -2.473 0 CA-C-O 121.196 0.522 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.49 144.17 48.15 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.86 124.8 11.99 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.786 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -138.12 165.98 25.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.07 143.8 57.46 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.439 0.638 . . . . 0.0 111.638 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.85 124.36 27.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.787 175.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.18 -37.45 8.93 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.095 0.474 . . . . 0.0 110.065 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -68.98 -35.25 76.51 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.554 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -73.48 121.28 20.32 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -112.43 121.85 46.04 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.212 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.94 165.91 13.08 Favored Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.949 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.08 141.4 20.87 Favored 'Trans proline' 0 C--O 1.245 0.865 0 C-N-CA 122.435 2.09 . . . . 0.0 111.071 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 44.6 t -94.18 117.5 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 120.948 0.404 . . . . 0.0 110.586 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.97 -46.29 6.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -109.91 109.32 19.91 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.688 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 15.0 t -57.9 -33.59 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.89 -30.49 77.4 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.884 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -73.01 -37.55 66.9 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.974 0.416 . . . . 0.0 110.136 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -79.31 -32.05 43.35 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.5 t70 -57.94 -45.04 87.23 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.15 -46.48 88.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.532 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -59.99 -53.88 52.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.24 -31.22 72.32 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 44.7 mtmt -80.14 -35.29 36.86 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.948 -0.47 . . . . 0.0 111.314 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -90.08 -60.15 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -67.64 -50.09 59.7 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.556 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.49 -10.92 41.85 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 61.28 29.79 18.83 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 122.215 1.007 . . . . 0.0 110.421 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 45' ' ' LYS . 72.5 mt -87.66 -172.58 3.94 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.67 -0.644 . . . . 0.0 109.819 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.533 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 22.9 ttt180 -75.27 -51.42 13.32 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -168.55 176.16 5.85 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 141.99 13.37 Favored Glycine 0 N--CA 1.428 -1.898 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -140.09 120.09 13.62 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 122.079 0.942 . . . . 0.0 111.583 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 34.8 m -87.71 123.28 32.37 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 114.354 -1.294 . . . . 0.0 108.746 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -74.24 174.19 9.12 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.137 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.6 -19.25 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.293 0.568 . . . . 0.0 111.044 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.75 7.04 9.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.117 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 70.16 17.13 7.29 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.176 0.991 . . . . 0.0 112.05 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.14 133.36 45.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 66.9 m -80.03 108.3 13.5 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.693 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.25 115.26 29.96 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 170.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.6 m -107.0 123.66 48.51 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 121.923 0.868 . . . . 0.0 112.603 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -79.82 136.71 36.78 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.285 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 30' ' ' LEU . 25.0 pttm -135.61 164.92 26.75 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.533 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.5 m-20 -99.19 140.89 32.68 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.002 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.418 -2.04 0 CA-C-O 120.984 0.421 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.14 145.3 27.33 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -148.88 116.31 6.17 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -173.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.02 164.94 26.5 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.865 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.28 139.45 49.98 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.716 0.769 . . . . 0.0 112.42 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.503 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.03 103.9 15.81 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.972 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.36 -18.89 47.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m -76.42 -20.44 57.09 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.89 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.19 121.41 27.04 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -102.56 111.66 24.07 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.112 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.65 169.75 17.83 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.465 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.52 144.54 14.26 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.644 2.229 . . . . 0.0 109.837 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.64 124.32 32.79 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.245 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.39 -42.26 4.86 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.384 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -112.46 120.07 40.38 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.1 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.529 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 32.9 m -54.93 -40.08 69.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.097 0.559 . . . . 0.0 111.658 -176.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.85 -36.93 56.53 Favored Glycine 0 C--N 1.336 0.562 0 O-C-N 123.252 0.345 . . . . 0.0 113.72 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -66.0 -34.18 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.597 0.713 . . . . 0.0 110.317 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -87.56 -38.55 15.88 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.86 0.838 . . . . 0.0 109.772 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.98 -44.82 94.24 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.756 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.53 -41.1 98.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.763 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.02 -60.44 3.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.424 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.5 m -69.64 -24.45 63.63 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 43.4 mtmt -80.24 -40.95 26.01 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.807 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -90.08 -50.16 6.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -75.68 -50.74 14.5 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.182 0.515 . . . . 0.0 110.323 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -86.63 -15.31 40.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.568 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.523 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 t-80 60.08 39.33 19.84 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 122.408 1.099 . . . . 0.0 110.979 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -98.24 -174.8 2.94 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.104 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -70.3 -54.59 11.97 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.1 m -159.26 166.71 30.72 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.2 121.65 4.16 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -122.81 144.78 48.96 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.893 0.854 . . . . 0.0 111.919 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 23.4 m -107.46 131.56 54.16 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.166 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -103.15 173.95 6.08 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.827 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -66.33 -13.1 60.03 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -12.52 61.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.734 1.214 . . . . 0.0 109.86 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 77.12 4.6 3.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.917 1.687 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -95.23 152.49 18.32 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.734 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.75 115.9 28.36 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.715 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -104.41 116.34 31.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 76.8 m -102.3 126.77 49.4 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-O 121.572 0.701 . . . . 0.0 110.514 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.3 m -95.82 135.07 38.02 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.711 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -133.92 155.31 50.14 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.39 139.2 30.75 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.945 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.304 -1.409 0 C-N-CA 123.415 0.686 . . . . 0.0 109.255 -178.228 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.416 HG21 ' HD2' ' A' ' 31' ' ' ARG . 9.8 p . . . . . 0 N--CA 1.417 -2.124 0 CA-C-O 121.285 0.564 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -106.76 123.19 47.78 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.676 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.5 tt0 -96.42 119.41 34.86 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.48 164.46 27.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.14 140.2 57.94 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.48 122.35 26.34 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.483 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -96.46 -38.1 10.16 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.211 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 m -75.73 -30.73 59.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.364 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.31 127.56 33.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -108.43 146.16 33.51 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.962 0.41 . . . . 0.0 110.494 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.63 162.34 36.04 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.65 166.43 29.8 Favored 'Trans proline' 0 C--O 1.244 0.807 0 C-N-CA 122.297 1.998 . . . . 0.0 110.918 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -87.78 100.87 13.17 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -90.7 -31.91 16.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 m -132.59 119.41 20.45 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -68.22 -24.78 64.97 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.13 -46.59 93.55 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -62.29 -35.07 77.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 110.457 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.21 -48.1 31.14 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.463 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 33.7 t70 -64.3 -39.9 94.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.808 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.17 -42.08 89.92 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.685 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -66.65 -54.61 21.37 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.531 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.56 -39.46 84.13 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.173 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.7 mttm -70.98 -60.1 2.42 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -82.04 -44.9 16.01 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.05 -50.57 14.41 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.062 0.458 . . . . 0.0 111.463 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.67 -6.86 42.34 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.434 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.4 m-70 63.94 28.9 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.9 0.88 . . . . 0.0 112.394 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 43.0 mt -94.93 -175.2 3.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.6 ttt180 -78.85 -59.16 2.89 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -150.2 158.79 44.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.137 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 21' ' ' ASP . . . -113.88 104.96 1.53 Allowed Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -108.81 132.46 53.98 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 -174.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -96.4 132.04 42.33 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.101 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -107.1 -179.44 3.93 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.79 -37.7 60.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.949 1.3 . . . . 0.0 113.654 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.55 7.38 8.35 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.362 0.601 . . . . 0.0 111.481 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 65.85 6.27 3.88 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.835 1.254 . . . . 0.0 113.978 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -91.1 159.77 15.93 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -90.88 129.12 36.95 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.2 m-90 -115.88 109.34 17.48 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.292 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.7 123.87 32.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 2.0 m -80.43 109.8 15.28 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 21.8 pttp -115.47 166.33 12.01 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -82.94 133.1 35.13 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.519 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.286 -2.176 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.546 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 31' ' ' ARG . 3.1 p . . . . . 0 N--CA 1.42 -1.931 0 CA-C-O 120.953 0.406 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.4 m -116.04 137.0 52.51 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 35.7 tt0 -94.92 109.95 21.89 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 m120 -137.18 163.75 30.12 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.647 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' CG ' ' A' ' 40' ' ' ARG . 60.6 mt -64.74 137.3 57.72 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.73 128.68 33.91 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.649 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.9 t70 -90.47 -39.34 12.67 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 m -69.54 -31.88 70.35 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 120.993 0.425 . . . . 0.0 110.91 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -80.45 87.22 5.69 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 48.7 mtmt -101.72 96.4 7.06 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 177.96 33.33 Favored Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HG2' ' CE1' ' A' ' 15' ' ' PHE . 59.1 Cg_endo -85.73 146.73 9.4 Favored 'Trans proline' 0 N--CA 1.431 -2.157 0 C-N-CA 121.81 1.673 . . . . 0.0 111.649 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 t -73.7 108.9 6.81 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.621 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 48.4 m-85 -87.55 -46.02 9.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.1 m -125.98 127.23 45.61 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.481 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.5 m -64.36 -32.37 73.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.504 0.193 . . . . 0.0 111.25 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.37 93.81 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.248 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -65.98 -35.2 79.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.243 0.617 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.93 -49.02 56.07 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.395 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.46 -46.92 80.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.57 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.7 -48.41 81.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.558 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.47 -54.55 44.15 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 122.639 0.376 . . . . 0.0 111.365 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.97 -29.84 70.29 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 46.3 mtpt -80.58 -42.31 22.53 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -89.31 -40.87 12.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -174.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -89.9 -50.42 6.04 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.174 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.66 -16.87 43.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.045 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 78.5 m80 64.35 26.62 13.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.141 0.977 . . . . 0.0 112.811 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -172.94 4.45 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.927 0.491 . . . . 0.0 110.78 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.9 ttt180 -72.07 -49.9 32.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.549 0.214 . . . . 0.0 110.861 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.2 p -168.61 173.16 7.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 126.16 6.36 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -115.52 135.97 53.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 60.2 m -99.3 126.48 45.15 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -109.8 170.67 7.92 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.67 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -50.09 -33.39 18.41 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.931 1.292 . . . . 0.0 113.712 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 3.23 6.48 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 70.6 -0.76 2.81 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.55 1.54 . . . . 0.0 113.819 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CG ' HD22 ' A' ' 6' ' ' LEU . 9.3 tpt180 -96.75 158.0 15.63 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -86.42 122.43 30.36 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 2.0 m-90 -105.68 100.3 9.87 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -97.77 142.75 29.16 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.41 0.624 . . . . 0.0 110.9 -174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -85.04 114.89 22.52 Favored 'General case' 0 N--CA 1.42 -1.955 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.553 -177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 5' ' ' ASN . 22.6 pttp -114.25 158.51 21.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -89.31 126.25 35.44 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.236 0.541 . . . . 0.0 111.031 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.286 -2.16 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.491 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.425 -1.705 0 CA-C-O 121.209 0.528 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 p -111.1 129.42 55.93 Favored 'General case' 0 C--N 1.275 -2.655 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.062 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.32 111.4 23.97 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -132.96 147.16 52.28 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.95 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.08 141.97 57.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -81.64 129.48 34.71 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.91 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -94.55 -36.85 11.65 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 m -71.89 -21.72 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.575 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -80.71 99.48 8.23 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -99.03 105.34 17.46 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.303 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.34 162.91 10.9 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.32 156.56 29.28 Favored 'Trans proline' 0 C--O 1.244 0.813 0 C-N-CA 122.523 2.148 . . . . 0.0 111.419 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 41.8 t -88.98 112.28 23.16 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.332 0.586 . . . . 0.0 111.498 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -104.52 -48.26 3.86 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -95.49 103.34 15.2 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 5.0 m -58.96 -36.8 75.42 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 124.155 0.982 . . . . 0.0 109.984 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.86 92.54 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.295 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -77.85 -28.79 50.22 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 t -71.87 -42.61 66.66 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -44.9 92.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.854 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.55 -35.82 81.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.761 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -64.54 -55.09 22.78 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.481 0.712 . . . . 0.0 110.368 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.0 m -59.96 -36.98 78.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.487 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 94.7 mttt -67.08 -57.2 7.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.68 -60.66 2.23 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -65.26 -43.69 90.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.164 0.507 . . . . 0.0 112.249 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.17 -5.22 44.5 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 63.24 24.49 14.34 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.003 0.921 . . . . 0.0 111.777 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 64.5 mt -95.28 179.86 5.03 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 120.764 0.316 . . . . 0.0 111.447 -175.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' THR . 55.4 ttt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.457 -176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -156.01 173.27 17.04 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -134.19 133.6 6.95 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.42 145.3 48.06 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.195 0.521 . . . . 0.0 111.159 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 53.0 m -107.42 115.6 30.44 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -91.98 -179.41 5.28 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.596 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.48 -34.69 17.58 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.394 1.477 . . . . 0.0 113.38 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.73 -0.83 19.43 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 68.42 14.86 9.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.321 0.648 . . . . 0.0 109.714 -173.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -101.08 153.23 19.73 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -92.92 116.9 29.47 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.16 107.77 18.18 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.653 174.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m -78.79 139.87 38.32 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 49.5 m -110.05 118.61 36.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -125.42 171.09 10.74 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -96.92 118.08 32.54 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.2 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.284 -2.279 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.561 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.42 -1.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -124.23 152.73 42.59 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 29.2 tt0 -126.08 138.29 53.69 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -146.08 152.84 39.96 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.95 148.74 34.11 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.49 117.97 29.6 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.385 -1.28 . . . . 0.0 108.211 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.35 -44.15 30.45 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.475 0.71 . . . . 0.0 112.248 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -73.98 -33.96 64.04 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.337 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -68.42 114.39 6.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -115.13 135.57 54.05 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.626 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.29 167.85 16.8 Favored Glycine 0 C--N 1.299 -1.491 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -83.75 144.21 11.0 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.378 2.052 . . . . 0.0 111.052 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 t -72.22 112.38 8.25 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.264 0.554 . . . . 0.0 111.767 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -91.73 -66.58 0.92 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m -100.32 115.86 30.96 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -57.51 -34.1 68.73 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.58 -34.43 76.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.84 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -72.3 -35.3 68.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.377 0.608 . . . . 0.0 109.801 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.71 -41.57 68.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.519 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 23.8 t70 -63.8 -37.16 86.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 176.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -43.31 94.82 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.878 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 41.2 t60 -62.5 -47.8 82.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.772 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.77 -39.35 87.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE2' ' OD2' ' A' ' 21' ' ' ASP . 39.5 mttm -77.6 -53.72 7.24 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.965 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.25 -38.84 21.67 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 13.0 mptt -90.24 -50.79 5.78 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.362 -176.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -85.63 -12.53 51.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.7 m-70 63.76 29.29 14.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.86 0.864 . . . . 0.0 112.873 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.3 mt -97.85 -175.69 3.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.222 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -71.05 -55.46 8.21 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -156.14 171.43 20.17 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.5 142.07 13.24 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -131.26 150.19 52.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.546 0.689 . . . . 0.0 110.903 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.4 m -109.03 119.1 38.54 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -97.38 -178.8 4.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.587 -175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.63 -13.52 32.7 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.466 1.107 . . . . 0.0 113.724 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.38 1.17 56.86 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.341 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 64.09 14.33 8.46 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.321 1.448 . . . . 0.0 113.238 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -100.77 162.39 12.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 m -89.81 126.5 35.71 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -117.55 116.88 27.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.129 177.699 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -92.19 133.71 35.54 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -92.85 130.89 38.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.816 0.846 . . . . 0.0 108.999 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 59.3 pttt -137.56 166.06 24.81 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -86.66 127.13 34.92 Favored 'General case' 0 CA--C 1.484 -1.583 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.642 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 33.6 m . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 118.188 -0.91 . . . . 0.0 109.155 -173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.406 -2.65 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -114.4 134.09 55.24 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.488 ' HG2' ' CD1' ' A' ' 42' ' ' TRP . 40.9 tt0 -97.27 115.75 28.22 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.395 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -134.68 143.05 47.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.577 0.351 . . . . 0.0 110.427 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 41' ' ' CYS . 20.0 mt -59.33 138.2 57.72 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.81 103.25 15.46 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 172.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.97 -31.02 44.82 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.335 0.588 . . . . 0.0 110.546 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.487 HG23 ' NE2' ' A' ' 23' ' ' HIS . 11.8 t -77.9 -8.93 58.76 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.52 -178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -81.6 113.41 19.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -96.64 135.53 38.44 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.073 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.95 -172.65 28.44 Favored Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.672 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -86.28 166.11 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 123.133 2.556 . . . . 0.0 110.994 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 t -77.26 109.59 11.27 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -77.69 -50.53 12.24 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 19' ' ' SER . 1.9 t -141.67 144.0 33.89 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -75.45 -13.76 60.4 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.96 -46.82 50.15 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.478 ' H ' HG23 ' A' ' 16' ' ' THR . 41.2 t -62.74 -42.74 99.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.45 -43.14 99.39 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.966 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.99 -43.0 99.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.047 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.7 -40.87 92.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' NE2' HG23 ' A' ' 9' ' ' THR . 24.1 t60 -60.16 -47.96 83.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.386 176.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.51 -41.91 98.49 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 53.7 mttp -67.5 -45.05 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.12 -60.02 2.01 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 26.3 tptp -64.88 -50.05 68.09 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.087 0.555 . . . . 0.0 111.574 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -93.86 -13.74 26.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.316 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 35.5 t-80 53.19 63.75 2.11 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.857 1.263 . . . . 0.0 111.519 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.5 mt -121.29 -174.8 2.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.585 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -68.74 -56.82 6.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.453 0.644 . . . . 0.0 111.459 -175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -158.68 -177.29 6.42 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.166 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.83 135.23 5.98 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -136.46 119.93 16.99 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.155 0.502 . . . . 0.0 109.912 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.0 140.64 50.89 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -107.11 -178.66 3.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.486 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -57.68 -27.64 63.08 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.468 1.107 . . . . 0.0 112.905 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -71.55 -4.83 29.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.803 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 67.22 14.41 9.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.349 1.059 . . . . 0.0 112.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -106.02 164.76 11.71 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.3 m -88.73 122.93 32.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 4' ' ' GLU . 3.6 m-90 -113.39 126.09 54.97 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.257 173.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 78.0 m -98.31 146.28 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.094 0.473 . . . . 0.0 110.217 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -95.51 113.42 25.08 Favored 'General case' 0 C--N 1.287 -2.109 0 C-N-CA 124.015 0.926 . . . . 0.0 108.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -109.82 151.71 26.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.14 133.27 39.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.1 0.476 . . . . 0.0 112.146 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.485 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.428 -1.558 0 CA-C-O 120.964 0.412 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 m -115.63 118.38 32.93 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.719 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -89.65 114.54 26.17 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -132.35 151.72 51.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 40' ' ' ARG . 13.5 mt -60.31 135.82 57.85 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.1 99.58 11.84 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.576 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -95.35 -10.88 28.85 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m -68.94 -39.55 79.49 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.428 -1.26 . . . . 0.0 107.8 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -72.89 130.81 41.25 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -79.61 104.89 10.52 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.429 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -172.23 38.74 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.778 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.98 -179.84 4.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.419 2.746 . . . . 0.0 111.761 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.1 t -93.44 106.99 18.9 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -96.53 -25.82 15.5 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -140.97 118.62 11.63 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.291 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 18.2 m -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.821 0.848 . . . . 0.0 111.144 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.62 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.932 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -71.28 -40.56 70.84 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.64 -49.88 64.77 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.927 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.33 -41.27 89.86 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.798 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.66 -42.09 92.08 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.732 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 22.5 t60 -62.55 -56.26 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.757 -178.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.84 -32.14 73.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -80.0 -60.92 2.15 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.006 0.432 . . . . 0.0 111.573 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.06 -39.49 55.34 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 28.4 tptp -85.13 -50.49 7.37 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 122.407 -0.183 . . . . 0.0 111.39 -177.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -96.04 -7.44 36.22 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.82 35.46 6.7 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.739 0.78 . . . . 0.0 111.385 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.39 179.77 4.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -72.51 -55.8 6.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.0 m -160.57 168.07 25.77 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.9 125.82 5.97 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -123.04 139.78 53.72 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.449 0.642 . . . . 0.0 111.602 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.0 m -93.33 115.05 27.63 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.67 -179.3 4.55 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.021 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.89 -37.64 44.9 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.966 1.306 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -1.76 8.73 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.167 0.587 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 71.28 6.0 5.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.904 1.282 . . . . 0.0 109.405 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 6' ' ' LEU . 69.9 mtm180 -90.72 148.54 22.52 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.704 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 62.4 m -82.89 110.46 17.91 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.179 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.08 105.44 15.61 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 173.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.9 m -104.44 138.4 40.9 Favored 'General case' 0 C--N 1.279 -2.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 m -86.61 122.8 31.04 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.232 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -108.86 146.41 33.75 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -85.11 117.19 23.91 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.421 -1.884 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -140.41 148.29 41.0 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 34.8 tt0 -97.01 133.75 41.28 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -153.09 153.37 32.7 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.51 143.31 29.95 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.56 111.03 20.8 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.786 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.83 -39.72 76.28 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.386 0.612 . . . . 0.0 110.204 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 m -69.87 -23.35 63.26 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.769 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.94 108.14 9.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -94.69 117.39 30.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.52 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.03 -170.48 14.6 Favored Glycine 0 C--N 1.303 -1.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.654 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.75 166.61 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 123.273 2.649 . . . . 0.0 111.957 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -83.68 117.18 23.03 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.045 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -97.58 -32.51 11.76 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -139.83 122.65 16.52 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 23.3 m -58.58 -40.98 84.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.982 0.513 . . . . 0.0 111.326 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.74 -33.02 86.12 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.48 -0.39 . . . . 0.0 112.762 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 t -72.66 -31.3 64.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.575 0.702 . . . . 0.0 109.133 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.58 -46.01 56.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.282 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 33.2 t70 -56.86 -40.61 76.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.755 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.829 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.73 -50.8 70.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.848 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.52 -38.16 90.06 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.127 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 7.8 mtpm? -77.87 -45.5 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.46 -60.3 2.03 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.7 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -71.37 -47.08 58.52 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.008 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.51 -8.14 55.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.0 m80 61.38 27.91 17.44 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.986 0.514 . . . . 0.0 112.093 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 45' ' ' LYS . 78.3 mt -103.4 177.31 4.88 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 51.8 ttt180 -66.38 -57.29 7.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -155.04 166.04 34.83 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 122.088 -0.383 . . . . 0.0 110.114 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.78 124.85 5.52 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -124.25 127.16 47.26 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.0 m -81.81 127.63 33.18 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -103.77 178.83 4.45 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.274 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.57 -21.19 62.31 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.067 0.947 . . . . 0.0 113.14 -173.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -83.14 1.96 37.86 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.29 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 68.45 4.79 4.43 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.395 1.478 . . . . 0.0 113.731 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -95.56 162.14 13.76 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 m -93.0 125.39 37.56 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.9 m-90 -111.11 120.49 42.51 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.27 176.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 38.1 m -104.04 141.19 36.64 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 m -83.55 109.05 17.07 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.6 ptpt -110.33 170.92 7.77 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -100.59 129.44 46.52 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.275 -2.668 0 C-N-CA 123.444 0.697 . . . . 0.0 109.217 178.295 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.5 m -117.67 139.16 51.39 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -89.74 122.21 32.62 Favored 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -151.93 157.18 41.44 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.599 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.63 138.79 51.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.7 135.13 57.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.224 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.91 -51.31 6.46 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.198 -170.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.466 ' HB ' ' NE2' ' A' ' 23' ' ' HIS . 6.2 m -89.23 -21.87 23.03 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.196 0.522 . . . . 0.0 110.63 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 27.7 t80 -79.76 94.81 5.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -104.67 11.16 34.38 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.517 0.675 . . . . 0.0 111.587 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.76 179.23 28.93 Favored Glycine 0 C--N 1.286 -2.205 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.775 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -94.74 140.48 1.21 Allowed 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 123.172 2.581 . . . . 0.0 111.094 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.2 120.81 28.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -113.79 -50.76 2.82 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -93.82 115.59 28.01 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.449 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 m -60.95 -33.89 73.89 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.91 -36.23 79.45 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.25 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -65.77 -40.11 91.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.533 0.682 . . . . 0.0 110.158 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -71.13 -39.33 72.06 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.65 -44.29 90.94 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.181 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.79 -47.15 85.74 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.779 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 62.5 t60 -62.6 -60.02 4.11 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.796 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.99 -27.11 67.17 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.62 -60.7 2.25 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.652 -0.655 . . . . 0.0 111.994 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -90.04 -44.44 9.84 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -76.43 -41.57 47.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.51 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.97 -31.24 14.35 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 66.45 62.32 0.55 Allowed 'General case' 0 C--O 1.245 0.839 0 CA-C-O 122.897 1.332 . . . . 0.0 110.512 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 67.3 mt -116.28 -178.33 3.39 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -72.5 -40.05 67.17 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 118.23 0.468 . . . . 0.0 111.691 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -170.05 168.47 8.47 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.72 117.43 2.35 Favored Glycine 0 CA--C 1.499 -0.949 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -113.74 125.26 53.91 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.317 0.58 . . . . 0.0 109.627 -172.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.9 m -84.41 131.38 34.68 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.562 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -111.17 178.08 4.45 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.48 -16.04 63.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.22 6.82 24.32 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.141 -0.349 . . . . 0.0 111.466 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 69.98 -0.35 2.78 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -100.09 157.63 16.43 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.65 130.44 39.58 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.59 108.75 20.41 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 170.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.8 m -110.12 136.61 49.08 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.376 -175.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.1 m -79.29 115.69 19.09 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 120.971 0.415 . . . . 0.0 110.173 -177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 5.9 ptpp? -117.0 165.96 12.74 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.61 144.64 30.18 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.637 179.553 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 p -140.98 139.81 34.28 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 32.7 tt0 -96.69 118.04 32.29 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -139.83 168.27 20.2 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' A' ' 40' ' ' ARG . 76.0 mt -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.144 0.497 . . . . 0.0 112.161 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 146.52 49.27 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.574 -1.194 . . . . 0.0 109.936 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.34 -45.14 5.96 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -103.34 -12.69 17.06 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.14 114.0 4.93 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -102.27 131.11 49.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.249 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.24 173.71 34.22 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.61 171.26 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.349 2.033 . . . . 0.0 111.567 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 t -82.94 113.36 20.49 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.41 -41.9 8.0 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -127.94 122.64 32.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 60.9 m -58.45 -35.7 72.53 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.37 -37.42 93.1 Favored Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.985 -0.341 . . . . 0.0 112.642 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -71.89 -38.96 69.9 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.045 0.538 . . . . 0.0 110.88 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -64.18 -48.79 74.58 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.862 0.839 . . . . 0.0 109.103 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.81 -39.98 91.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.897 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.51 -54.1 50.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.741 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -60.96 -49.84 75.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.064 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.85 -35.53 76.79 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.31 -45.73 17.35 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.797 -0.564 . . . . 0.0 111.335 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -77.14 -56.17 4.8 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -83.95 -46.65 11.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.416 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.1 -11.32 50.5 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.3 m80 60.61 37.8 19.12 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.571 0.701 . . . . 0.0 111.583 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -95.01 -178.21 4.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -73.5 -54.99 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 p -158.57 168.31 27.27 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.65 135.18 10.01 Favored Glycine 0 CA--C 1.499 -0.907 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 77.8 mtp180 -127.76 143.42 51.13 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.515 0.674 . . . . 0.0 110.833 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.3 m -105.19 106.33 16.77 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 42' ' ' TRP . 9.5 mmm180 -84.94 -179.74 7.13 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.468 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.73 -31.74 66.75 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -78.32 -4.22 46.95 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.814 0.34 . . . . 0.0 111.489 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 68.48 0.86 2.72 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.896 1.278 . . . . 0.0 114.164 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HG3' HD22 ' A' ' 6' ' ' LEU . 26.0 tpt180 -82.86 144.88 29.78 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.62 114.72 16.75 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 1.3 m-90 -101.38 102.64 13.49 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 170.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.75 139.21 38.64 Favored 'General case' 0 C--N 1.266 -3.029 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.765 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -79.11 112.47 16.35 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.573 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 19.6 ptmt -112.72 159.31 19.06 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.805 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.05 121.42 27.39 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 27.2 m . . . . . 0 C--N 1.281 -2.379 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.423 -1.789 0 CA-C-O 120.884 0.373 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -117.48 118.72 32.95 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -102.29 109.93 21.74 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.72 169.93 16.93 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.709 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.19 147.26 53.3 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -76.42 137.95 40.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.163 175.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.69 -50.15 5.9 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 28' ' ' GLU . 12.2 t -91.13 -2.99 57.46 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.031 -174.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.42 112.46 8.5 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -99.52 126.63 45.51 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 120.946 0.403 . . . . 0.0 110.342 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.13 179.71 27.45 Favored Glycine 0 N--CA 1.424 -2.133 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.388 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -89.86 171.9 3.94 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 122.622 2.215 . . . . 0.0 111.452 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -87.98 120.18 29.07 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.731 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.64 -43.65 4.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -113.95 110.84 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.2 m -58.97 -36.26 74.56 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -28.57 72.9 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -74.13 -36.7 64.2 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -65.0 -47.26 78.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.053 177.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.31 -42.34 95.34 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 0.0 110.279 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.97 -43.46 98.75 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.57 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.58 -44.98 92.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.909 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.578 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.8 m -58.62 -34.6 71.34 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 96.5 mttt -80.1 -39.36 29.74 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -90.28 -51.34 5.48 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -175.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -84.91 -45.03 12.62 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.371 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE1' HG22 ' A' ' 9' ' ' THR . 34.3 mm-40 -80.51 -20.84 42.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.281 177.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 67.08 30.81 7.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.148 0.979 . . . . 0.0 111.948 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 60.3 mt -106.59 178.38 4.58 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 120.767 0.318 . . . . 0.0 111.155 -176.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 32.8 ttt180 -57.69 -57.68 11.66 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.159 0.984 . . . . 0.0 112.531 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.3 m -158.4 -169.54 2.79 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -169.02 164.67 38.29 Favored Glycine 0 CA--C 1.484 -1.904 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -154.03 177.18 11.35 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.114 0.483 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 21.4 m -113.98 138.58 50.17 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -110.3 -178.74 3.58 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.609 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.48 -30.21 28.84 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.863 1.665 . . . . 0.0 112.908 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.23 -4.91 52.88 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.617 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.06 10.81 6.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.711 1.204 . . . . 0.0 111.635 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -92.6 151.66 20.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.1 m -84.05 125.73 32.38 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -113.01 104.95 12.9 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 113.801 -1.545 . . . . 0.0 107.481 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 67.5 m -88.31 146.52 25.26 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 19.9 m -112.9 124.31 52.31 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 22.5 pttm -121.92 160.46 24.75 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.477 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 93.9 m-20 -83.91 131.38 34.86 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 C--N 1.286 -2.193 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.01 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 p -108.65 155.93 20.13 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -107.08 160.26 15.7 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.46 120.7 9.54 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.579 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -130.04 164.26 24.71 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.472 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD22 ' HG3' ' A' ' 40' ' ' ARG . 41.6 mt -68.89 138.2 54.48 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -70.54 115.51 9.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.04 -39.05 30.64 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.19 -0.604 . . . . 0.0 112.492 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' NE2' ' A' ' 23' ' ' HIS . 9.7 t -86.67 11.78 12.17 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.285 0.564 . . . . 0.0 111.014 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -100.95 98.19 8.69 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.64 119.4 39.04 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.23 174.45 13.67 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -84.86 157.34 11.74 Favored 'Trans proline' 0 N--CA 1.444 -1.396 0 C-N-CA 122.763 2.309 . . . . 0.0 112.226 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 t -86.0 110.28 19.37 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.199 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -97.82 -24.32 15.49 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.499 0.666 . . . . 0.0 110.064 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -141.12 121.78 14.27 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.6 m -59.71 -35.2 74.04 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.0 88.36 Favored Glycine 0 CA--C 1.521 0.429 0 O-C-N 123.271 0.357 . . . . 0.0 112.306 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -65.39 -45.69 83.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.84 0.829 . . . . 0.0 110.551 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.21 -46.75 88.67 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.696 1.199 . . . . 0.0 109.729 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.512 ' NE2' HG23 ' A' ' 9' ' ' THR . 36.0 t60 -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.874 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.28 -33.51 75.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.71 -46.17 32.64 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.33 -52.74 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.088 0.774 . . . . 0.0 113.088 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.44 -50.49 10.02 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -80.45 -17.07 52.81 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.26 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.9 t60 66.85 31.33 7.34 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 122.371 1.082 . . . . 0.0 110.297 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.03 -171.62 1.95 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.047 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 46.8 ttt180 -71.77 -57.53 4.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.9 m -156.64 178.94 9.76 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -138.54 135.59 7.52 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -126.09 139.53 53.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.8 m -93.52 136.31 33.92 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.17 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 mmm180 -87.47 171.58 10.43 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.582 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.29 -27.7 68.13 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.671 0.748 . . . . 0.0 109.647 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.61 8.08 10.66 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.939 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.28 2.34 3.96 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.862 1.665 . . . . 0.0 114.523 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' HD22 ' A' ' 6' ' ' LEU . 12.0 tpp180 -88.88 151.2 22.49 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.775 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -91.78 122.04 33.96 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -108.44 118.87 37.91 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 172.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 55.9 m -93.03 122.18 35.14 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.601 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 10.6 m -79.69 130.69 35.57 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -131.52 158.5 40.77 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -88.26 151.41 22.67 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.293 -1.891 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.292 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 CA--C 1.509 -0.62 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-O 121.793 0.806 . . . . 0.0 110.761 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 2.0 p -120.95 166.01 14.42 Favored 'General case' 0 C--N 1.267 -3.019 0 CA-C-N 114.501 -1.227 . . . . 0.0 107.925 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -131.87 134.24 45.5 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.359 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -142.06 160.82 39.45 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.38 144.25 57.3 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.115 0.483 . . . . 0.0 111.057 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.92 113.81 11.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.39 -42.19 23.26 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.085 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -69.99 -34.32 73.18 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.594 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -80.99 92.84 6.25 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -92.26 83.87 5.12 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.109 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.25 -179.7 36.51 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.702 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.78 159.62 12.09 Favored 'Trans proline' 0 N--CA 1.444 -1.383 0 C-N-CA 122.974 2.449 . . . . 0.0 111.75 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.5 t -85.52 98.8 10.83 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.705 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -80.78 -35.99 32.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.563 0.697 . . . . 0.0 109.415 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -131.85 123.15 26.94 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.645 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 39.2 m -59.86 -38.45 82.18 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.477 0.486 . . . . 0.0 111.686 -176.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.3 -42.78 97.51 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.647 0.592 . . . . 0.0 111.697 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -63.5 -45.29 91.34 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.468 0.707 . . . . 0.0 111.264 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.97 -48.17 72.14 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.784 0.802 . . . . 0.0 110.166 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 31.0 t70 -58.69 -46.12 87.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.949 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.72 -45.93 92.35 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.49 -49.93 75.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.034 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -69.73 -33.57 72.66 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.6 ptpt -80.15 -33.62 38.32 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.647 -0.821 . . . . 0.0 113.095 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.2 -60.7 1.86 Allowed 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -67.09 -48.55 67.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.791 0.329 . . . . 0.0 111.639 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.38 -10.21 50.09 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 60.61 29.74 19.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.398 1.079 . . . . 0.0 110.449 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.35 179.68 6.84 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.252 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -66.8 -57.23 7.46 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.116 0.484 . . . . 0.0 110.075 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -160.45 168.27 25.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.38 126.33 6.61 Favored Glycine 0 CA--C 1.489 -1.592 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.9 140.73 48.75 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.905 0.859 . . . . 0.0 110.96 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.645 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 54.2 m -100.21 115.65 30.38 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.897 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 17.8 mmm180 -74.31 169.62 17.26 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.671 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.22 -9.43 58.61 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.137 0.97 . . . . 0.0 109.673 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.92 -8.19 59.59 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.185 -1.37 . . . . 0.0 107.857 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 68.87 3.94 4.22 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.184 1.794 . . . . 0.0 113.624 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -92.71 156.7 16.87 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 55.6 m -91.48 118.49 30.61 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -111.14 112.66 24.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.18 133.93 51.75 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-O 121.315 0.579 . . . . 0.0 110.878 -174.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 m -79.6 117.85 20.9 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.696 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -109.89 161.29 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.294 -175.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -99.89 121.79 41.86 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.641 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.281 -2.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.075 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt . . . . . 0 CA--C 1.507 -0.682 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -120.05 123.92 44.61 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-O 121.18 0.514 . . . . 0.0 109.798 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -115.47 172.03 7.35 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.992 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 125.63 16.84 Favored 'General case' 0 N--CA 1.425 -1.717 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.45 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -134.07 164.59 27.0 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 40' ' ' ARG . 46.7 mt -61.71 138.73 58.34 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 123.513 0.508 . . . . 0.0 112.22 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 132.76 53.67 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.59 -50.69 6.64 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 123.421 0.451 . . . . 0.0 111.732 -172.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.253 71.0 p -92.44 -14.93 27.83 Favored 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 118.175 -1.41 . . . . 0.0 113.273 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 46.7 t80 -83.95 92.95 7.94 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -99.97 115.43 29.66 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.033 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.08 176.62 14.62 Favored Glycine 0 N--CA 1.419 -2.441 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.23 159.85 29.7 Favored 'Trans proline' 0 N--CA 1.442 -1.503 0 C-N-CA 122.627 2.218 . . . . 0.0 111.984 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 44.3 t -94.89 114.12 25.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.237 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -100.81 -31.64 11.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -133.71 113.66 12.58 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.458 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 13.2 t -64.83 -27.83 69.14 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.492 -174.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.96 82.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -72.93 -42.54 63.37 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.24 -48.68 77.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.72 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.14 -46.06 89.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.856 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.79 -50.32 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 17.6 t60 -61.85 -44.31 97.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 95.6 m -65.86 -28.2 68.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 90.3 mttt -80.25 -49.35 11.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.037 0.446 . . . . 0.0 110.921 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -77.66 -49.22 14.96 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -90.03 -50.08 6.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.205 0.526 . . . . 0.0 110.997 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.9 mm-40 -79.15 -16.22 56.95 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.689 -175.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.9 m80 55.93 40.62 30.47 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.846 0.832 . . . . 0.0 112.527 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 45' ' ' LYS . 48.6 mt -103.31 -178.2 3.59 Favored 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.09 -43.18 29.81 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -163.66 165.07 23.7 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.03 122.48 4.84 Favored Glycine 0 N--CA 1.438 -1.178 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -117.88 145.42 44.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.312 0.577 . . . . 0.0 109.882 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.6 m -109.39 121.18 44.61 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -85.99 -179.61 6.81 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -75.0 -2.91 29.39 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.735 0.779 . . . . 0.0 110.544 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.06 -10.04 57.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 72.58 -0.44 3.31 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.078 1.751 . . . . 0.0 113.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 6' ' ' LEU . 9.1 tpt180 -93.67 152.9 18.67 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.35 118.11 20.96 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.14 109.6 20.17 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 171.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.2 137.55 43.95 Favored 'General case' 0 C--N 1.276 -2.595 0 CA-C-O 121.372 0.606 . . . . 0.0 111.447 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -78.88 126.81 31.2 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.9 -175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 30' ' ' LEU . 19.2 ptmt -125.13 147.79 48.86 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.536 -176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -84.69 123.74 30.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.993 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--O 1.216 -0.691 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -105.63 132.67 51.49 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 p -144.63 145.1 31.6 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.09 0.471 . . . . 0.0 110.473 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.615 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 24.1 tt0 -89.63 110.47 21.34 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -133.85 150.19 51.38 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.054 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -46.53 135.78 8.18 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.62 127.75 32.83 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.74 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -84.9 -50.41 7.54 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.662 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 m -81.43 -31.5 33.08 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.607 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -80.73 94.65 6.42 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 177.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -96.12 16.76 17.2 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.38 0.61 . . . . 0.0 112.552 -174.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.67 173.9 15.0 Favored Glycine 0 C--N 1.28 -2.539 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.395 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -75.45 157.74 40.74 Favored 'Trans proline' 0 C--O 1.253 1.241 0 C-N-CA 122.614 2.209 . . . . 0.0 110.782 172.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.0 t -100.89 132.53 46.25 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.667 179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.81 -61.72 1.33 Allowed 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -98.96 123.75 43.46 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.737 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 85.3 m -54.52 -42.2 70.56 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.897 0.38 . . . . 0.0 111.809 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.68 -22.61 66.29 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.818 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -77.78 -40.37 41.0 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 120.875 0.369 . . . . 0.0 110.094 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -77.08 -34.96 56.94 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.95 -45.82 89.54 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.99 -41.02 86.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.323 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -67.02 -47.97 69.79 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 94.8 m -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.0 mmtt -72.74 -53.07 12.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.126 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -81.87 -51.63 7.91 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.73 -48.11 9.13 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.013 -175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.5 mm-40 -79.96 -20.58 45.23 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.417 -177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.0 m80 61.02 31.92 19.88 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.675 0.79 . . . . 0.0 110.915 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 44' ' ' THR . 78.9 mt -90.65 177.05 6.45 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.913 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -65.88 -42.01 90.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.193 0.308 . . . . 0.0 110.841 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -172.72 176.02 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.036 0.534 . . . . 0.0 110.128 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.39 130.23 5.33 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.615 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 56.9 mtp180 -120.48 137.02 54.58 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.929 0.871 . . . . 0.0 111.967 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.2 m -100.46 105.44 16.91 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.859 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.336 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.17 -23.21 67.33 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.897 0.856 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.61 -15.39 63.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.173 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 73.87 -0.4 3.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 126.044 1.738 . . . . 0.0 111.153 -175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.01 148.48 22.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 98.1 m -90.52 120.34 31.54 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.6 m-90 -108.25 108.62 19.72 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -105.73 146.85 29.26 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.416 0.627 . . . . 0.0 111.525 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 2.4 m -78.97 108.52 12.5 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.175 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.9 ptpt -127.65 175.22 8.45 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.962 0.411 . . . . 0.0 111.003 -176.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.61 137.61 36.26 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.982 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.279 -2.487 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.642 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp . . . . . 0 CA--C 1.497 -1.095 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -91.88 127.76 37.46 Favored 'General case' 0 N--CA 1.411 -2.385 0 CA-C-O 121.68 0.753 . . . . 0.0 112.102 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.621 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 6.8 p -111.03 114.55 27.93 Favored 'General case' 0 C--N 1.275 -2.657 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 11.1 tt0 -90.17 110.24 21.28 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -128.94 148.49 50.94 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.976 -168.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.64 140.5 41.04 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.89 104.53 16.59 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.427 -1.261 . . . . 0.0 108.355 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.52 -26.85 37.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.572 0.701 . . . . 0.0 109.445 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -38.5 79.02 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.264 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -87.03 79.76 8.6 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -85.0 108.48 17.62 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.848 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.38 158.72 8.48 Favored Glycine 0 N--CA 1.416 -2.674 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -74.19 158.22 45.43 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 122.27 1.98 . . . . 0.0 111.18 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.8 t -83.08 98.53 9.35 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.97 -33.74 18.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.431 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 27.4 m -131.41 121.52 24.73 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 27.8 m -65.36 -35.44 80.97 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.6 73.78 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.948 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 11.9 p -71.51 -34.57 70.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 117.2 0.5 . . . . 0.0 111.619 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.68 -50.84 69.55 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.403 0.621 . . . . 0.0 109.632 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.26 -45.36 93.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.689 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.45 -44.16 96.12 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.637 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -62.36 -51.13 68.84 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 120.818 0.342 . . . . 0.0 110.137 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.36 -29.67 70.74 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 62.4 mtpt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -89.93 -40.97 12.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -90.11 -50.28 6.09 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 22.2 mm-40 -78.77 -19.81 51.35 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.945 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 m80 63.01 30.05 16.36 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.097 0.959 . . . . 0.0 111.47 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 28' ' ' GLU . 68.4 mt -88.74 179.12 6.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.548 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -71.6 -44.85 63.7 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -164.42 165.36 21.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.84 122.95 4.89 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.04 136.01 53.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.92 0.867 . . . . 0.0 112.725 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 56.1 m -93.8 113.55 25.62 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.823 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 14.5 mmt85 -87.46 177.25 7.15 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.797 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -48.07 -37.12 14.4 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.592 1.557 . . . . 0.0 113.593 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -84.82 8.36 17.58 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 67.83 18.57 9.67 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.808 0.843 . . . . 0.0 111.963 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -93.6 152.69 18.85 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.622 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.84 105.16 17.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.799 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -101.68 103.66 14.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 173.099 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -95.5 141.33 29.16 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-O 121.341 0.591 . . . . 0.0 111.02 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -79.34 109.0 13.29 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.171 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.621 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 18.2 ptpt -118.36 171.86 7.85 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.476 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -100.61 125.37 46.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 120.983 0.421 . . . . 0.0 111.45 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.289 -2.065 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.622 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p -122.22 146.84 46.88 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.163 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -125.74 125.38 42.89 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.9 tt0 -89.94 109.32 20.35 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -134.83 150.09 50.44 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.63 137.91 58.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.13 139.34 50.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.683 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.32 -47.65 4.86 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.713 -174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -75.82 -20.68 57.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.002 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -74.0 128.04 34.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -115.92 139.39 50.28 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.615 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.41 -176.91 34.41 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.754 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.88 166.91 13.03 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 C-N-CA 122.705 2.27 . . . . 0.0 110.965 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 37.1 t -86.96 106.41 17.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.084 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.84 -55.61 3.49 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 m -108.49 110.84 22.44 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 11.8 t -62.32 -31.55 72.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.477 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.4 -39.81 97.24 Favored Glycine 0 N--CA 1.435 -1.405 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -69.89 -38.57 76.38 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 t -61.44 -47.57 85.14 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.457 0.646 . . . . 0.0 109.447 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -46.48 87.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.55 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.46 -42.86 99.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.158 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 87.6 m -68.03 -30.22 69.39 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.21 -41.17 61.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.868 0.365 . . . . 0.0 111.307 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.2 -60.13 2.09 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -81.13 -44.81 17.36 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 120.742 0.306 . . . . 0.0 111.555 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 4.9 mm-40 -79.09 -15.62 57.92 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.124 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.9 m80 58.91 30.01 19.62 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.87 0.868 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -94.34 -172.09 2.69 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.686 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 33.6 ttt180 -84.72 -43.94 13.84 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 120.572 0.225 . . . . 0.0 110.626 -174.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -161.94 174.69 12.74 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.79 128.17 4.33 Favored Glycine 0 N--CA 1.435 -1.407 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -131.63 149.55 52.46 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.658 0.742 . . . . 0.0 110.606 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.4 m -111.48 121.01 44.07 Favored 'General case' 0 C--N 1.282 -2.339 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.157 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -85.69 175.35 8.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.989 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.53 -15.22 60.56 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 122.138 0.971 . . . . 0.0 111.096 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.03 -17.14 64.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.606 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 69.88 15.38 7.88 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.234 1.414 . . . . 0.0 111.165 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -105.44 147.13 28.6 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -82.11 114.17 20.47 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -105.91 113.43 26.98 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 174.18 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.9 m -109.57 140.19 43.67 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-O 121.613 0.721 . . . . 0.0 111.432 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -79.86 116.19 19.87 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.476 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -109.51 148.62 30.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.573 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.5 m-20 -83.6 126.99 33.41 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.011 0.434 . . . . 0.0 111.089 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.266 1.938 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.264 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--O 1.216 -0.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 44' ' ' THR . 25.2 p -104.19 151.49 23.29 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 118.66 0.663 . . . . 0.0 112.661 178.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -140.18 149.08 42.51 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.67 127.25 56.06 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -142.59 160.47 40.23 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.6 137.87 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.98 131.59 46.18 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.524 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.68 -50.34 7.73 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 m -75.8 -24.83 55.95 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.823 -0.548 . . . . 0.0 110.823 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 30.2 t80 -82.92 80.02 9.11 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.907 0.86 . . . . 0.0 109.502 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -90.48 108.62 19.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.36 172.25 21.39 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.72 153.29 13.32 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 122.657 2.238 . . . . 0.0 110.858 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -89.02 114.32 25.51 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.698 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.6 -39.09 8.06 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 6.8 m -120.81 111.47 17.61 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 8.8 t -59.51 -33.74 71.73 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.42 -35.64 92.32 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.404 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 19.8 m -65.96 -42.61 89.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.265 0.555 . . . . 0.0 109.588 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.18 -49.12 75.52 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.189 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.09 -37.93 86.91 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.23 -51.02 63.58 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 41.7 t60 -59.75 -51.35 70.15 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.046 0.841 . . . . 0.0 110.888 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 90.4 m -63.42 -45.25 91.84 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -78.69 -35.58 44.84 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -90.62 -60.68 1.85 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -76.26 -44.07 38.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.862 0.363 . . . . 0.0 111.385 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 5.9 mm-40 -79.05 -13.14 59.95 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.759 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 m80 57.16 43.55 23.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 123.872 0.869 . . . . 0.0 112.737 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 45' ' ' LYS . 51.5 mt -101.23 -177.17 3.37 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -80.55 -49.26 11.57 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -154.69 162.38 41.15 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.45 130.66 4.68 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.44 153.35 50.13 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.808 0.813 . . . . 0.0 111.208 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.4 m -94.81 130.01 41.55 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.356 -177.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -104.61 -178.57 3.69 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.163 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.32 -44.94 11.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.847 1.659 . . . . 0.0 112.919 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -79.06 6.39 9.56 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.002 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 68.78 12.38 8.64 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 124.539 1.135 . . . . 0.0 111.756 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -98.22 154.08 18.03 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.9 m -88.04 118.08 27.35 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -103.17 115.93 31.51 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 171.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.9 m -120.32 136.7 54.6 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-O 121.414 0.626 . . . . 0.0 111.343 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 2' ' ' THR . 24.9 m -79.9 123.96 28.24 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.131 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' CB ' HD22 ' A' ' 30' ' ' LEU . 18.6 ptmt -122.34 159.05 28.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.174 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -92.96 127.45 38.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.171 0.51 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.292 -1.928 0 C-N-CA 124.424 1.089 . . . . 0.0 108.865 -179.665 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 tttp . . . . . 0 C--O 1.213 -0.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.443 HG21 HH11 ' A' ' 31' ' ' ARG . 24.5 p -79.97 123.82 28.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 118.989 -1.084 . . . . 0.0 112.079 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.2 m -87.74 148.0 24.94 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.077 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' OE1' ' HD2' ' A' ' 34' ' ' ARG . 28.4 tt0 -116.68 109.68 17.49 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.85 136.98 53.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.299 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 136.05 57.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -80.53 112.66 18.1 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.232 176.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -72.4 -32.85 66.73 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -69.05 -29.02 67.07 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.271 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.44 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 35.9 t80 -85.88 83.15 7.89 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -92.69 88.72 6.37 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.1 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.47 171.98 26.02 Favored Glycine 0 N--CA 1.424 -2.16 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.59 150.91 22.04 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.725 2.284 . . . . 0.0 111.39 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 41.3 t -76.14 108.61 9.18 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.036 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.63 -27.6 14.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.581 0.705 . . . . 0.0 109.656 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -140.17 121.78 15.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.3 t -67.82 -31.02 70.59 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 120.722 0.296 . . . . 0.0 110.789 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.78 -36.56 93.51 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 m -70.16 -30.41 67.54 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.073 0.464 . . . . 0.0 109.819 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.14 -46.14 57.71 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.54 -51.28 69.17 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.714 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.69 -42.23 92.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.369 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.46 -55.68 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.639 0.776 . . . . 0.0 110.406 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.71 -29.51 70.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.035 0.445 . . . . 0.0 111.972 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 48.0 mtpt -80.13 -48.83 12.59 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -91.03 -33.61 15.45 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -87.82 -51.16 6.0 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.079 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -85.52 -14.74 45.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.636 -177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.3 m80 63.49 34.6 12.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.051 0.941 . . . . 0.0 111.53 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 87.9 mt -103.95 -179.92 4.09 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.28 -177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 2' ' ' THR . 68.5 ttt180 -57.64 -52.31 65.94 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.594 0.758 . . . . 0.0 111.905 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -169.37 -174.54 1.98 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.53 161.12 26.58 Favored Glycine 0 N--CA 1.43 -1.758 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD2' ' OE1' ' A' ' 4' ' ' GLU . 5.1 ptp180 -155.66 147.48 23.2 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 117.305 0.553 . . . . 0.0 110.576 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.0 m -104.06 113.26 26.68 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.7 mmt180 -84.44 -179.27 7.13 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.46 -20.54 31.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.259 1.024 . . . . 0.0 113.319 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.24 13.94 8.72 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.255 -0.278 . . . . 0.0 111.478 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 50.1 27.39 2.51 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.922 1.689 . . . . 0.0 114.221 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -115.87 165.64 12.86 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 m -95.57 122.75 38.65 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ3' ' HB2' ' A' ' 36' ' ' ARG . 5.3 m-90 -106.71 118.92 37.93 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.029 -1.441 . . . . 0.0 107.131 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 80.7 m -87.53 138.7 31.24 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 m -95.58 120.53 36.0 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 19.5 ptmt -132.83 148.51 52.31 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.303 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.45 137.13 38.5 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 120.826 0.345 . . . . 0.0 111.014 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.291 -1.969 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.35 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 CA--C 1.502 -0.893 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -79.69 150.81 30.78 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-O 121.196 0.522 . . . . 0.0 110.906 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.49 144.17 48.15 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.86 124.8 11.99 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.786 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -138.12 165.98 25.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.07 143.8 57.46 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.439 0.638 . . . . 0.0 111.638 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.85 124.36 27.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.787 175.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.18 -37.45 8.93 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.095 0.474 . . . . 0.0 110.065 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -68.98 -35.25 76.51 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.554 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -73.48 121.28 20.32 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -112.43 121.85 46.04 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.212 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.94 165.91 13.08 Favored Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.949 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.08 141.4 20.87 Favored 'Trans proline' 0 C--O 1.245 0.865 0 C-N-CA 122.435 2.09 . . . . 0.0 111.071 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 44.6 t -94.18 117.5 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 120.948 0.404 . . . . 0.0 110.586 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.97 -46.29 6.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -109.91 109.32 19.91 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.688 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 15.0 t -57.9 -33.59 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.89 -30.49 77.4 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.884 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -73.01 -37.55 66.9 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.974 0.416 . . . . 0.0 110.136 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -79.31 -32.05 43.35 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.5 t70 -57.94 -45.04 87.23 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.15 -46.48 88.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.532 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -59.99 -53.88 52.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.24 -31.22 72.32 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 44.7 mtmt -80.14 -35.29 36.86 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.948 -0.47 . . . . 0.0 111.314 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -90.08 -60.15 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -67.64 -50.09 59.7 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.556 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.49 -10.92 41.85 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 61.28 29.79 18.83 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 122.215 1.007 . . . . 0.0 110.421 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 45' ' ' LYS . 72.5 mt -87.66 -172.58 3.94 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.67 -0.644 . . . . 0.0 109.819 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 22.9 ttt180 -75.27 -51.42 13.32 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -168.55 176.16 5.85 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 141.99 13.37 Favored Glycine 0 N--CA 1.428 -1.898 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -140.09 120.09 13.62 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 122.079 0.942 . . . . 0.0 111.583 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 34.8 m -87.71 123.28 32.37 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 114.354 -1.294 . . . . 0.0 108.746 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -74.24 174.19 9.12 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.137 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.6 -19.25 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.293 0.568 . . . . 0.0 111.044 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.75 7.04 9.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.117 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 70.16 17.13 7.29 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.176 0.991 . . . . 0.0 112.05 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.14 133.36 45.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 66.9 m -80.03 108.3 13.5 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.693 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.25 115.26 29.96 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 170.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.6 m -107.0 123.66 48.51 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 121.923 0.868 . . . . 0.0 112.603 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -79.82 136.71 36.78 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.285 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 30' ' ' LEU . 25.0 pttm -135.61 164.92 26.75 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.533 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.5 m-20 -99.19 140.89 32.68 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.002 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.21 -0.984 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p -103.1 130.88 50.39 Favored 'General case' 0 N--CA 1.418 -2.04 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.331 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.14 145.3 27.33 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -148.88 116.31 6.17 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -173.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.02 164.94 26.5 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.865 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.28 139.45 49.98 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.716 0.769 . . . . 0.0 112.42 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.03 103.9 15.81 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.972 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.36 -18.89 47.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m -76.42 -20.44 57.09 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.89 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.19 121.41 27.04 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -102.56 111.66 24.07 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.112 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.65 169.75 17.83 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.465 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.52 144.54 14.26 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.644 2.229 . . . . 0.0 109.837 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.64 124.32 32.79 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.245 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.39 -42.26 4.86 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.384 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -112.46 120.07 40.38 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.1 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.529 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 32.9 m -54.93 -40.08 69.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.097 0.559 . . . . 0.0 111.658 -176.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.85 -36.93 56.53 Favored Glycine 0 C--N 1.336 0.562 0 O-C-N 123.252 0.345 . . . . 0.0 113.72 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -66.0 -34.18 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.597 0.713 . . . . 0.0 110.317 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -87.56 -38.55 15.88 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.86 0.838 . . . . 0.0 109.772 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.98 -44.82 94.24 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.756 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.53 -41.1 98.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.763 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.02 -60.44 3.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.424 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.5 m -69.64 -24.45 63.63 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 43.4 mtmt -80.24 -40.95 26.01 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.807 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -90.08 -50.16 6.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -75.68 -50.74 14.5 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.182 0.515 . . . . 0.0 110.323 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -86.63 -15.31 40.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.568 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 t-80 60.08 39.33 19.84 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 122.408 1.099 . . . . 0.0 110.979 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -98.24 -174.8 2.94 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.104 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -70.3 -54.59 11.97 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.1 m -159.26 166.71 30.72 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.2 121.65 4.16 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -122.81 144.78 48.96 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.893 0.854 . . . . 0.0 111.919 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 23.4 m -107.46 131.56 54.16 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.166 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -103.15 173.95 6.08 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.827 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -66.33 -13.1 60.03 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -12.52 61.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.734 1.214 . . . . 0.0 109.86 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 77.12 4.6 3.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.917 1.687 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -95.23 152.49 18.32 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.734 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.75 115.9 28.36 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.715 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -104.41 116.34 31.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 76.8 m -102.3 126.77 49.4 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-O 121.572 0.701 . . . . 0.0 110.514 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.3 m -95.82 135.07 38.02 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.711 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -133.92 155.31 50.14 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.39 139.2 30.75 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.945 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.304 -1.409 0 C-N-CA 123.415 0.686 . . . . 0.0 109.255 -178.228 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 2' ' ' THR . 38.0 ttmt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 HG21 ' HD2' ' A' ' 31' ' ' ARG . 9.8 p -117.19 123.17 46.03 Favored 'General case' 0 N--CA 1.417 -2.124 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.256 169.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -106.76 123.19 47.78 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.676 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.5 tt0 -96.42 119.41 34.86 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.48 164.46 27.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.14 140.2 57.94 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.48 122.35 26.34 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.483 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -96.46 -38.1 10.16 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.211 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 m -75.73 -30.73 59.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.364 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.31 127.56 33.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -108.43 146.16 33.51 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.962 0.41 . . . . 0.0 110.494 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.63 162.34 36.04 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.65 166.43 29.8 Favored 'Trans proline' 0 C--O 1.244 0.807 0 C-N-CA 122.297 1.998 . . . . 0.0 110.918 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -87.78 100.87 13.17 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -90.7 -31.91 16.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 m -132.59 119.41 20.45 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -68.22 -24.78 64.97 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.13 -46.59 93.55 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -62.29 -35.07 77.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 110.457 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.21 -48.1 31.14 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.463 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 33.7 t70 -64.3 -39.9 94.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.808 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.17 -42.08 89.92 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.685 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -66.65 -54.61 21.37 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.531 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.56 -39.46 84.13 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.173 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.7 mttm -70.98 -60.1 2.42 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -82.04 -44.9 16.01 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.05 -50.57 14.41 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.062 0.458 . . . . 0.0 111.463 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.67 -6.86 42.34 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.434 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.4 m-70 63.94 28.9 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.9 0.88 . . . . 0.0 112.394 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 43.0 mt -94.93 -175.2 3.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.6 ttt180 -78.85 -59.16 2.89 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -150.2 158.79 44.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.137 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 21' ' ' ASP . . . -113.88 104.96 1.53 Allowed Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -108.81 132.46 53.98 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 -174.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -96.4 132.04 42.33 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.101 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -107.1 -179.44 3.93 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.79 -37.7 60.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.949 1.3 . . . . 0.0 113.654 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.55 7.38 8.35 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.362 0.601 . . . . 0.0 111.481 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 65.85 6.27 3.88 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.835 1.254 . . . . 0.0 113.978 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -91.1 159.77 15.93 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -90.88 129.12 36.95 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.2 m-90 -115.88 109.34 17.48 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.292 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.7 123.87 32.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 2.0 m -80.43 109.8 15.28 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 21.8 pttp -115.47 166.33 12.01 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -82.94 133.1 35.13 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.519 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.286 -2.176 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.546 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.1 tptt . . . . . 0 C--O 1.199 -1.582 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 31' ' ' ARG . 3.1 p -98.2 136.26 38.66 Favored 'General case' 0 N--CA 1.42 -1.931 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.493 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.4 m -116.04 137.0 52.51 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 35.7 tt0 -94.92 109.95 21.89 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 m120 -137.18 163.75 30.12 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.647 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' CG ' ' A' ' 40' ' ' ARG . 60.6 mt -64.74 137.3 57.72 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.73 128.68 33.91 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.649 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.9 t70 -90.47 -39.34 12.67 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 m -69.54 -31.88 70.35 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 120.993 0.425 . . . . 0.0 110.91 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -80.45 87.22 5.69 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 48.7 mtmt -101.72 96.4 7.06 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 177.96 33.33 Favored Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HG2' ' CE1' ' A' ' 15' ' ' PHE . 59.1 Cg_endo -85.73 146.73 9.4 Favored 'Trans proline' 0 N--CA 1.431 -2.157 0 C-N-CA 121.81 1.673 . . . . 0.0 111.649 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 t -73.7 108.9 6.81 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.621 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 48.4 m-85 -87.55 -46.02 9.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.1 m -125.98 127.23 45.61 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.5 m -64.36 -32.37 73.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.504 0.193 . . . . 0.0 111.25 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.37 93.81 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.248 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -65.98 -35.2 79.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.243 0.617 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.93 -49.02 56.07 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.395 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.46 -46.92 80.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.57 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.7 -48.41 81.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.558 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.47 -54.55 44.15 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 122.639 0.376 . . . . 0.0 111.365 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.97 -29.84 70.29 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 46.3 mtpt -80.58 -42.31 22.53 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -89.31 -40.87 12.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -174.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -89.9 -50.42 6.04 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.174 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.66 -16.87 43.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.045 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 78.5 m80 64.35 26.62 13.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.141 0.977 . . . . 0.0 112.811 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -172.94 4.45 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.927 0.491 . . . . 0.0 110.78 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.9 ttt180 -72.07 -49.9 32.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.549 0.214 . . . . 0.0 110.861 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.2 p -168.61 173.16 7.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 126.16 6.36 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -115.52 135.97 53.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 60.2 m -99.3 126.48 45.15 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -109.8 170.67 7.92 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.67 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -50.09 -33.39 18.41 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.931 1.292 . . . . 0.0 113.712 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 3.23 6.48 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 70.6 -0.76 2.81 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.55 1.54 . . . . 0.0 113.819 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CG ' HD22 ' A' ' 6' ' ' LEU . 9.3 tpt180 -96.75 158.0 15.63 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -86.42 122.43 30.36 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 2.0 m-90 -105.68 100.3 9.87 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -97.77 142.75 29.16 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.41 0.624 . . . . 0.0 110.9 -174.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -85.04 114.89 22.52 Favored 'General case' 0 N--CA 1.42 -1.955 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.553 -177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 5' ' ' ASN . 22.6 pttp -114.25 158.51 21.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -89.31 126.25 35.44 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.236 0.541 . . . . 0.0 111.031 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.286 -2.16 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.491 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 C--O 1.207 -1.141 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 p -85.86 125.37 33.25 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.472 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 p -111.1 129.42 55.93 Favored 'General case' 0 C--N 1.275 -2.655 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.062 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.32 111.4 23.97 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -132.96 147.16 52.28 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.95 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.08 141.97 57.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -81.64 129.48 34.71 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.91 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -94.55 -36.85 11.65 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 m -71.89 -21.72 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.575 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -80.71 99.48 8.23 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -99.03 105.34 17.46 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.303 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.34 162.91 10.9 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.32 156.56 29.28 Favored 'Trans proline' 0 C--O 1.244 0.813 0 C-N-CA 122.523 2.148 . . . . 0.0 111.419 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 41.8 t -88.98 112.28 23.16 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.332 0.586 . . . . 0.0 111.498 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -104.52 -48.26 3.86 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -95.49 103.34 15.2 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 5.0 m -58.96 -36.8 75.42 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 124.155 0.982 . . . . 0.0 109.984 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.86 92.54 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.295 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -77.85 -28.79 50.22 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 t -71.87 -42.61 66.66 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -44.9 92.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.854 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.55 -35.82 81.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.761 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -64.54 -55.09 22.78 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.481 0.712 . . . . 0.0 110.368 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.0 m -59.96 -36.98 78.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.487 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 94.7 mttt -67.08 -57.2 7.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.68 -60.66 2.23 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -65.26 -43.69 90.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.164 0.507 . . . . 0.0 112.249 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.17 -5.22 44.5 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 63.24 24.49 14.34 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.003 0.921 . . . . 0.0 111.777 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 64.5 mt -95.28 179.86 5.03 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 120.764 0.316 . . . . 0.0 111.447 -175.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' THR . 55.4 ttt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.457 -176.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -156.01 173.27 17.04 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -134.19 133.6 6.95 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.42 145.3 48.06 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.195 0.521 . . . . 0.0 111.159 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 53.0 m -107.42 115.6 30.44 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -91.98 -179.41 5.28 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.596 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.48 -34.69 17.58 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.394 1.477 . . . . 0.0 113.38 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.73 -0.83 19.43 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 68.42 14.86 9.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.321 0.648 . . . . 0.0 109.714 -173.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -101.08 153.23 19.73 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -92.92 116.9 29.47 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.16 107.77 18.18 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.653 174.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m -78.79 139.87 38.32 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 49.5 m -110.05 118.61 36.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -125.42 171.09 10.74 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -96.92 118.08 32.54 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.2 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.284 -2.279 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.561 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 p -117.9 139.21 51.45 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -124.23 152.73 42.59 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 29.2 tt0 -126.08 138.29 53.69 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -146.08 152.84 39.96 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.95 148.74 34.11 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.49 117.97 29.6 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.385 -1.28 . . . . 0.0 108.211 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.35 -44.15 30.45 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.475 0.71 . . . . 0.0 112.248 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -73.98 -33.96 64.04 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.337 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -68.42 114.39 6.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -115.13 135.57 54.05 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.626 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.29 167.85 16.8 Favored Glycine 0 C--N 1.299 -1.491 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -83.75 144.21 11.0 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.378 2.052 . . . . 0.0 111.052 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 t -72.22 112.38 8.25 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.264 0.554 . . . . 0.0 111.767 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -91.73 -66.58 0.92 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m -100.32 115.86 30.96 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -57.51 -34.1 68.73 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.58 -34.43 76.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.84 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -72.3 -35.3 68.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.377 0.608 . . . . 0.0 109.801 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.71 -41.57 68.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.519 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 23.8 t70 -63.8 -37.16 86.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 176.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -43.31 94.82 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.878 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 41.2 t60 -62.5 -47.8 82.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.772 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.77 -39.35 87.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE2' ' OD2' ' A' ' 21' ' ' ASP . 39.5 mttm -77.6 -53.72 7.24 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.965 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.25 -38.84 21.67 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 13.0 mptt -90.24 -50.79 5.78 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.362 -176.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -85.63 -12.53 51.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.7 m-70 63.76 29.29 14.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.86 0.864 . . . . 0.0 112.873 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.3 mt -97.85 -175.69 3.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.222 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -71.05 -55.46 8.21 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -156.14 171.43 20.17 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.5 142.07 13.24 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -131.26 150.19 52.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.546 0.689 . . . . 0.0 110.903 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.4 m -109.03 119.1 38.54 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -97.38 -178.8 4.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.587 -175.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.63 -13.52 32.7 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.466 1.107 . . . . 0.0 113.724 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.38 1.17 56.86 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.341 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 64.09 14.33 8.46 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.321 1.448 . . . . 0.0 113.238 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -100.77 162.39 12.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 m -89.81 126.5 35.71 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -117.55 116.88 27.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.129 177.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -92.19 133.71 35.54 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -92.85 130.89 38.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.816 0.846 . . . . 0.0 108.999 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 59.3 pttt -137.56 166.06 24.81 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -86.66 127.13 34.92 Favored 'General case' 0 CA--C 1.484 -1.583 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.642 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 33.6 m . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 118.188 -0.91 . . . . 0.0 109.155 -173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt . . . . . 0 CA--C 1.498 -1.036 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -126.11 148.03 49.47 Favored 'General case' 0 N--CA 1.406 -2.65 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -114.4 134.09 55.24 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' HG2' ' CD1' ' A' ' 42' ' ' TRP . 40.9 tt0 -97.27 115.75 28.22 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.395 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -134.68 143.05 47.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.577 0.351 . . . . 0.0 110.427 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 41' ' ' CYS . 20.0 mt -59.33 138.2 57.72 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.81 103.25 15.46 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 172.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.97 -31.02 44.82 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.335 0.588 . . . . 0.0 110.546 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.487 HG23 ' NE2' ' A' ' 23' ' ' HIS . 11.8 t -77.9 -8.93 58.76 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.52 -178.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -81.6 113.41 19.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -96.64 135.53 38.44 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.073 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.95 -172.65 28.44 Favored Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.672 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -86.28 166.11 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 123.133 2.556 . . . . 0.0 110.994 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 t -77.26 109.59 11.27 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -77.69 -50.53 12.24 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 19' ' ' SER . 1.9 t -141.67 144.0 33.89 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -75.45 -13.76 60.4 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.96 -46.82 50.15 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.478 ' H ' HG23 ' A' ' 16' ' ' THR . 41.2 t -62.74 -42.74 99.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.45 -43.14 99.39 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.966 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.99 -43.0 99.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.047 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.7 -40.87 92.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' NE2' HG23 ' A' ' 9' ' ' THR . 24.1 t60 -60.16 -47.96 83.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.386 176.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.51 -41.91 98.49 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 53.7 mttp -67.5 -45.05 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.12 -60.02 2.01 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 26.3 tptp -64.88 -50.05 68.09 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.087 0.555 . . . . 0.0 111.574 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -93.86 -13.74 26.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.316 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 35.5 t-80 53.19 63.75 2.11 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.857 1.263 . . . . 0.0 111.519 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.5 mt -121.29 -174.8 2.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.585 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -68.74 -56.82 6.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.453 0.644 . . . . 0.0 111.459 -175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -158.68 -177.29 6.42 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.166 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.83 135.23 5.98 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -136.46 119.93 16.99 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.155 0.502 . . . . 0.0 109.912 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.0 140.64 50.89 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -107.11 -178.66 3.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.486 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -57.68 -27.64 63.08 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.468 1.107 . . . . 0.0 112.905 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -71.55 -4.83 29.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.803 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 67.22 14.41 9.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.349 1.059 . . . . 0.0 112.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -106.02 164.76 11.71 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.3 m -88.73 122.93 32.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 4' ' ' GLU . 3.6 m-90 -113.39 126.09 54.97 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.257 173.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 78.0 m -98.31 146.28 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.094 0.473 . . . . 0.0 110.217 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -95.51 113.42 25.08 Favored 'General case' 0 C--N 1.287 -2.109 0 C-N-CA 124.015 0.926 . . . . 0.0 108.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -109.82 151.71 26.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.14 133.27 39.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.1 0.476 . . . . 0.0 112.146 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.485 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 tttp . . . . . 0 C--O 1.217 -0.624 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -108.41 126.16 52.57 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.804 -0.56 . . . . 0.0 110.588 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 m -115.63 118.38 32.93 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.719 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -89.65 114.54 26.17 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -132.35 151.72 51.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 40' ' ' ARG . 13.5 mt -60.31 135.82 57.85 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.1 99.58 11.84 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.576 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -95.35 -10.88 28.85 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m -68.94 -39.55 79.49 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.428 -1.26 . . . . 0.0 107.8 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -72.89 130.81 41.25 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -79.61 104.89 10.52 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.429 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -172.23 38.74 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.778 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.98 -179.84 4.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.419 2.746 . . . . 0.0 111.761 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.1 t -93.44 106.99 18.9 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -96.53 -25.82 15.5 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -140.97 118.62 11.63 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.291 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 18.2 m -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.821 0.848 . . . . 0.0 111.144 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.62 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.932 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -71.28 -40.56 70.84 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.64 -49.88 64.77 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.927 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.33 -41.27 89.86 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.798 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.66 -42.09 92.08 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.732 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 22.5 t60 -62.55 -56.26 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.757 -178.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.84 -32.14 73.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -80.0 -60.92 2.15 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.006 0.432 . . . . 0.0 111.573 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.06 -39.49 55.34 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 28.4 tptp -85.13 -50.49 7.37 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 122.407 -0.183 . . . . 0.0 111.39 -177.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -96.04 -7.44 36.22 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.82 35.46 6.7 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.739 0.78 . . . . 0.0 111.385 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.39 179.77 4.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -72.51 -55.8 6.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.0 m -160.57 168.07 25.77 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.9 125.82 5.97 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -123.04 139.78 53.72 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.449 0.642 . . . . 0.0 111.602 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.0 m -93.33 115.05 27.63 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.67 -179.3 4.55 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.021 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.89 -37.64 44.9 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.966 1.306 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -1.76 8.73 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.167 0.587 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 71.28 6.0 5.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.904 1.282 . . . . 0.0 109.405 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 6' ' ' LEU . 69.9 mtm180 -90.72 148.54 22.52 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.704 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 62.4 m -82.89 110.46 17.91 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.179 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.08 105.44 15.61 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 173.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.9 m -104.44 138.4 40.9 Favored 'General case' 0 C--N 1.279 -2.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 m -86.61 122.8 31.04 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.232 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -108.86 146.41 33.75 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -85.11 117.19 23.91 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? . . . . . 0 C--O 1.21 -0.987 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -103.24 133.6 48.06 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -140.41 148.29 41.0 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 34.8 tt0 -97.01 133.75 41.28 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -153.09 153.37 32.7 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.51 143.31 29.95 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.56 111.03 20.8 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.786 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.83 -39.72 76.28 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.386 0.612 . . . . 0.0 110.204 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 m -69.87 -23.35 63.26 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.769 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.94 108.14 9.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -94.69 117.39 30.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.52 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.03 -170.48 14.6 Favored Glycine 0 C--N 1.303 -1.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.654 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.75 166.61 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 123.273 2.649 . . . . 0.0 111.957 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -83.68 117.18 23.03 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.045 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -97.58 -32.51 11.76 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -139.83 122.65 16.52 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 23.3 m -58.58 -40.98 84.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.982 0.513 . . . . 0.0 111.326 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.74 -33.02 86.12 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.48 -0.39 . . . . 0.0 112.762 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 t -72.66 -31.3 64.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.575 0.702 . . . . 0.0 109.133 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.58 -46.01 56.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.282 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 33.2 t70 -56.86 -40.61 76.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.755 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.829 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.73 -50.8 70.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.848 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.52 -38.16 90.06 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.127 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 7.8 mtpm? -77.87 -45.5 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.46 -60.3 2.03 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.7 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -71.37 -47.08 58.52 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.008 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.51 -8.14 55.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.0 m80 61.38 27.91 17.44 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.986 0.514 . . . . 0.0 112.093 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 45' ' ' LYS . 78.3 mt -103.4 177.31 4.88 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 51.8 ttt180 -66.38 -57.29 7.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -155.04 166.04 34.83 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 122.088 -0.383 . . . . 0.0 110.114 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.78 124.85 5.52 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -124.25 127.16 47.26 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.0 m -81.81 127.63 33.18 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -103.77 178.83 4.45 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.274 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.57 -21.19 62.31 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.067 0.947 . . . . 0.0 113.14 -173.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -83.14 1.96 37.86 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.29 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 68.45 4.79 4.43 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.395 1.478 . . . . 0.0 113.731 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -95.56 162.14 13.76 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 m -93.0 125.39 37.56 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.9 m-90 -111.11 120.49 42.51 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.27 176.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 38.1 m -104.04 141.19 36.64 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 m -83.55 109.05 17.07 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.6 ptpt -110.33 170.92 7.77 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -100.59 129.44 46.52 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.275 -2.668 0 C-N-CA 123.444 0.697 . . . . 0.0 109.217 178.295 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 p -126.32 129.88 49.73 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.058 0.456 . . . . 0.0 110.923 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.5 m -117.67 139.16 51.39 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -89.74 122.21 32.62 Favored 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -151.93 157.18 41.44 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.599 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.63 138.79 51.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.7 135.13 57.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.224 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.91 -51.31 6.46 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.198 -170.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.466 ' HB ' ' NE2' ' A' ' 23' ' ' HIS . 6.2 m -89.23 -21.87 23.03 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.196 0.522 . . . . 0.0 110.63 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 27.7 t80 -79.76 94.81 5.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -104.67 11.16 34.38 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.517 0.675 . . . . 0.0 111.587 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.76 179.23 28.93 Favored Glycine 0 C--N 1.286 -2.205 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.775 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -94.74 140.48 1.21 Allowed 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 123.172 2.581 . . . . 0.0 111.094 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.2 120.81 28.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -113.79 -50.76 2.82 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -93.82 115.59 28.01 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.449 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 m -60.95 -33.89 73.89 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.91 -36.23 79.45 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.25 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -65.77 -40.11 91.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.533 0.682 . . . . 0.0 110.158 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -71.13 -39.33 72.06 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.65 -44.29 90.94 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.181 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.79 -47.15 85.74 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.779 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 62.5 t60 -62.6 -60.02 4.11 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.796 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.99 -27.11 67.17 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.62 -60.7 2.25 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.652 -0.655 . . . . 0.0 111.994 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -90.04 -44.44 9.84 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -76.43 -41.57 47.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.51 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.97 -31.24 14.35 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 66.45 62.32 0.55 Allowed 'General case' 0 C--O 1.245 0.839 0 CA-C-O 122.897 1.332 . . . . 0.0 110.512 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 67.3 mt -116.28 -178.33 3.39 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -72.5 -40.05 67.17 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 118.23 0.468 . . . . 0.0 111.691 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -170.05 168.47 8.47 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.72 117.43 2.35 Favored Glycine 0 CA--C 1.499 -0.949 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -113.74 125.26 53.91 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.317 0.58 . . . . 0.0 109.627 -172.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.9 m -84.41 131.38 34.68 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.562 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -111.17 178.08 4.45 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.48 -16.04 63.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.22 6.82 24.32 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.141 -0.349 . . . . 0.0 111.466 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 69.98 -0.35 2.78 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -100.09 157.63 16.43 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.65 130.44 39.58 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.59 108.75 20.41 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 170.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.8 m -110.12 136.61 49.08 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.376 -175.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.1 m -79.29 115.69 19.09 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 120.971 0.415 . . . . 0.0 110.173 -177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 5.9 ptpp? -117.0 165.96 12.74 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.61 144.64 30.18 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.637 179.553 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 121.371 0.605 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 p -140.53 145.34 36.69 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.885 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 p -140.98 139.81 34.28 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 32.7 tt0 -96.69 118.04 32.29 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -139.83 168.27 20.2 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' A' ' 40' ' ' ARG . 76.0 mt -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.144 0.497 . . . . 0.0 112.161 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 146.52 49.27 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.574 -1.194 . . . . 0.0 109.936 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.34 -45.14 5.96 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -103.34 -12.69 17.06 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.14 114.0 4.93 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -102.27 131.11 49.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.249 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.24 173.71 34.22 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.61 171.26 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.349 2.033 . . . . 0.0 111.567 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 t -82.94 113.36 20.49 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.41 -41.9 8.0 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -127.94 122.64 32.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 60.9 m -58.45 -35.7 72.53 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.37 -37.42 93.1 Favored Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.985 -0.341 . . . . 0.0 112.642 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -71.89 -38.96 69.9 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.045 0.538 . . . . 0.0 110.88 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -64.18 -48.79 74.58 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.862 0.839 . . . . 0.0 109.103 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.81 -39.98 91.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.897 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.51 -54.1 50.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.741 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -60.96 -49.84 75.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.064 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.85 -35.53 76.79 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.31 -45.73 17.35 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.797 -0.564 . . . . 0.0 111.335 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -77.14 -56.17 4.8 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -83.95 -46.65 11.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.416 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.1 -11.32 50.5 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.3 m80 60.61 37.8 19.12 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.571 0.701 . . . . 0.0 111.583 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -95.01 -178.21 4.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -73.5 -54.99 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 p -158.57 168.31 27.27 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.65 135.18 10.01 Favored Glycine 0 CA--C 1.499 -0.907 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 77.8 mtp180 -127.76 143.42 51.13 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.515 0.674 . . . . 0.0 110.833 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.3 m -105.19 106.33 16.77 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 42' ' ' TRP . 9.5 mmm180 -84.94 -179.74 7.13 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.468 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.73 -31.74 66.75 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -78.32 -4.22 46.95 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.814 0.34 . . . . 0.0 111.489 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 68.48 0.86 2.72 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.896 1.278 . . . . 0.0 114.164 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HG3' HD22 ' A' ' 6' ' ' LEU . 26.0 tpt180 -82.86 144.88 29.78 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.62 114.72 16.75 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 1.3 m-90 -101.38 102.64 13.49 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 170.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.75 139.21 38.64 Favored 'General case' 0 C--N 1.266 -3.029 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.765 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -79.11 112.47 16.35 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 19.6 ptmt -112.72 159.31 19.06 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.805 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.05 121.42 27.39 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 27.2 m . . . . . 0 C--N 1.281 -2.379 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.508 -0.661 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -90.74 145.55 24.71 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.077 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -117.48 118.72 32.95 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -102.29 109.93 21.74 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.72 169.93 16.93 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.709 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.19 147.26 53.3 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -76.42 137.95 40.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.163 175.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.69 -50.15 5.9 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 28' ' ' GLU . 12.2 t -91.13 -2.99 57.46 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.031 -174.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.42 112.46 8.5 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -99.52 126.63 45.51 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 120.946 0.403 . . . . 0.0 110.342 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.13 179.71 27.45 Favored Glycine 0 N--CA 1.424 -2.133 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.388 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -89.86 171.9 3.94 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 122.622 2.215 . . . . 0.0 111.452 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -87.98 120.18 29.07 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.731 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.64 -43.65 4.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -113.95 110.84 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.2 m -58.97 -36.26 74.56 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -28.57 72.9 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -74.13 -36.7 64.2 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -65.0 -47.26 78.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.053 177.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.31 -42.34 95.34 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 0.0 110.279 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.97 -43.46 98.75 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.57 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.58 -44.98 92.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.909 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.578 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.8 m -58.62 -34.6 71.34 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 96.5 mttt -80.1 -39.36 29.74 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -90.28 -51.34 5.48 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -175.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -84.91 -45.03 12.62 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.371 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE1' HG22 ' A' ' 9' ' ' THR . 34.3 mm-40 -80.51 -20.84 42.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.281 177.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 67.08 30.81 7.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.148 0.979 . . . . 0.0 111.948 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 60.3 mt -106.59 178.38 4.58 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 120.767 0.318 . . . . 0.0 111.155 -176.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 32.8 ttt180 -57.69 -57.68 11.66 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.159 0.984 . . . . 0.0 112.531 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.3 m -158.4 -169.54 2.79 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -169.02 164.67 38.29 Favored Glycine 0 CA--C 1.484 -1.904 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -154.03 177.18 11.35 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.114 0.483 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 21.4 m -113.98 138.58 50.17 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -110.3 -178.74 3.58 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.609 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.48 -30.21 28.84 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.863 1.665 . . . . 0.0 112.908 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.23 -4.91 52.88 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.617 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.06 10.81 6.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.711 1.204 . . . . 0.0 111.635 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -92.6 151.66 20.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.1 m -84.05 125.73 32.38 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -113.01 104.95 12.9 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 113.801 -1.545 . . . . 0.0 107.481 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 67.5 m -88.31 146.52 25.26 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 19.9 m -112.9 124.31 52.31 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 22.5 pttm -121.92 160.46 24.75 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 93.9 m-20 -83.91 131.38 34.86 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 C--N 1.286 -2.193 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.01 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.44 -0.936 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -107.08 160.26 15.7 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.46 120.7 9.54 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.579 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -130.04 164.26 24.71 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.472 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD22 ' HG3' ' A' ' 40' ' ' ARG . 41.6 mt -68.89 138.2 54.48 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -70.54 115.51 9.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.04 -39.05 30.64 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.19 -0.604 . . . . 0.0 112.492 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' NE2' ' A' ' 23' ' ' HIS . 9.7 t -86.67 11.78 12.17 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.285 0.564 . . . . 0.0 111.014 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -100.95 98.19 8.69 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.64 119.4 39.04 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.23 174.45 13.67 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -84.86 157.34 11.74 Favored 'Trans proline' 0 N--CA 1.444 -1.396 0 C-N-CA 122.763 2.309 . . . . 0.0 112.226 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 t -86.0 110.28 19.37 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.199 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -97.82 -24.32 15.49 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.499 0.666 . . . . 0.0 110.064 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -141.12 121.78 14.27 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.6 m -59.71 -35.2 74.04 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.0 88.36 Favored Glycine 0 CA--C 1.521 0.429 0 O-C-N 123.271 0.357 . . . . 0.0 112.306 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -65.39 -45.69 83.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.84 0.829 . . . . 0.0 110.551 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.21 -46.75 88.67 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.696 1.199 . . . . 0.0 109.729 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.512 ' NE2' HG23 ' A' ' 9' ' ' THR . 36.0 t60 -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.874 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.28 -33.51 75.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.71 -46.17 32.64 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.33 -52.74 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.088 0.774 . . . . 0.0 113.088 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.44 -50.49 10.02 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -80.45 -17.07 52.81 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.26 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.9 t60 66.85 31.33 7.34 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 122.371 1.082 . . . . 0.0 110.297 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.03 -171.62 1.95 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.047 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 46.8 ttt180 -71.77 -57.53 4.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.9 m -156.64 178.94 9.76 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -138.54 135.59 7.52 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -126.09 139.53 53.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.8 m -93.52 136.31 33.92 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.17 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 mmm180 -87.47 171.58 10.43 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.582 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.29 -27.7 68.13 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.671 0.748 . . . . 0.0 109.647 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.61 8.08 10.66 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.939 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.28 2.34 3.96 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.862 1.665 . . . . 0.0 114.523 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' HD22 ' A' ' 6' ' ' LEU . 12.0 tpp180 -88.88 151.2 22.49 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.775 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -91.78 122.04 33.96 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -108.44 118.87 37.91 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 172.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 55.9 m -93.03 122.18 35.14 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.601 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 10.6 m -79.69 130.69 35.57 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -131.52 158.5 40.77 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -88.26 151.41 22.67 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.293 -1.891 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.292 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.415 -2.204 0 CA-C-O 121.793 0.806 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 2.0 p -120.95 166.01 14.42 Favored 'General case' 0 C--N 1.267 -3.019 0 CA-C-N 114.501 -1.227 . . . . 0.0 107.925 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -131.87 134.24 45.5 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.359 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -142.06 160.82 39.45 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.38 144.25 57.3 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.115 0.483 . . . . 0.0 111.057 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.92 113.81 11.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.39 -42.19 23.26 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.085 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -69.99 -34.32 73.18 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.594 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -80.99 92.84 6.25 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -92.26 83.87 5.12 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.109 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.25 -179.7 36.51 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.702 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.78 159.62 12.09 Favored 'Trans proline' 0 N--CA 1.444 -1.383 0 C-N-CA 122.974 2.449 . . . . 0.0 111.75 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.5 t -85.52 98.8 10.83 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.705 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -80.78 -35.99 32.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.563 0.697 . . . . 0.0 109.415 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -131.85 123.15 26.94 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.645 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 39.2 m -59.86 -38.45 82.18 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.477 0.486 . . . . 0.0 111.686 -176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.3 -42.78 97.51 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.647 0.592 . . . . 0.0 111.697 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -63.5 -45.29 91.34 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.468 0.707 . . . . 0.0 111.264 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.97 -48.17 72.14 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.784 0.802 . . . . 0.0 110.166 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 31.0 t70 -58.69 -46.12 87.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.949 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.72 -45.93 92.35 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.49 -49.93 75.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.034 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -69.73 -33.57 72.66 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.6 ptpt -80.15 -33.62 38.32 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.647 -0.821 . . . . 0.0 113.095 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.2 -60.7 1.86 Allowed 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -67.09 -48.55 67.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.791 0.329 . . . . 0.0 111.639 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.38 -10.21 50.09 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 60.61 29.74 19.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.398 1.079 . . . . 0.0 110.449 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.35 179.68 6.84 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.252 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -66.8 -57.23 7.46 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.116 0.484 . . . . 0.0 110.075 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -160.45 168.27 25.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.38 126.33 6.61 Favored Glycine 0 CA--C 1.489 -1.592 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.9 140.73 48.75 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.905 0.859 . . . . 0.0 110.96 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.645 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 54.2 m -100.21 115.65 30.38 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.897 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 17.8 mmm180 -74.31 169.62 17.26 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.671 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.22 -9.43 58.61 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.137 0.97 . . . . 0.0 109.673 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.92 -8.19 59.59 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.185 -1.37 . . . . 0.0 107.857 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 68.87 3.94 4.22 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.184 1.794 . . . . 0.0 113.624 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -92.71 156.7 16.87 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 55.6 m -91.48 118.49 30.61 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -111.14 112.66 24.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.18 133.93 51.75 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-O 121.315 0.579 . . . . 0.0 110.878 -174.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 m -79.6 117.85 20.9 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.696 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -109.89 161.29 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.294 -175.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -99.89 121.79 41.86 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.641 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.281 -2.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.075 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.413 -2.279 0 CA-C-O 121.18 0.514 . . . . 0.0 109.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -115.47 172.03 7.35 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.992 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 125.63 16.84 Favored 'General case' 0 N--CA 1.425 -1.717 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.45 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -134.07 164.59 27.0 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 40' ' ' ARG . 46.7 mt -61.71 138.73 58.34 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 123.513 0.508 . . . . 0.0 112.22 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 132.76 53.67 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.59 -50.69 6.64 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 123.421 0.451 . . . . 0.0 111.732 -172.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.253 71.0 p -92.44 -14.93 27.83 Favored 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 118.175 -1.41 . . . . 0.0 113.273 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 46.7 t80 -83.95 92.95 7.94 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -99.97 115.43 29.66 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.033 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.08 176.62 14.62 Favored Glycine 0 N--CA 1.419 -2.441 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.23 159.85 29.7 Favored 'Trans proline' 0 N--CA 1.442 -1.503 0 C-N-CA 122.627 2.218 . . . . 0.0 111.984 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 44.3 t -94.89 114.12 25.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.237 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -100.81 -31.64 11.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -133.71 113.66 12.58 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.458 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 13.2 t -64.83 -27.83 69.14 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.492 -174.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.96 82.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -72.93 -42.54 63.37 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.24 -48.68 77.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.72 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.14 -46.06 89.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.856 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.79 -50.32 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 17.6 t60 -61.85 -44.31 97.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 95.6 m -65.86 -28.2 68.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 90.3 mttt -80.25 -49.35 11.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.037 0.446 . . . . 0.0 110.921 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -77.66 -49.22 14.96 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -90.03 -50.08 6.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.205 0.526 . . . . 0.0 110.997 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.9 mm-40 -79.15 -16.22 56.95 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.689 -175.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.9 m80 55.93 40.62 30.47 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.846 0.832 . . . . 0.0 112.527 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 45' ' ' LYS . 48.6 mt -103.31 -178.2 3.59 Favored 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.09 -43.18 29.81 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -163.66 165.07 23.7 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.03 122.48 4.84 Favored Glycine 0 N--CA 1.438 -1.178 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -117.88 145.42 44.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.312 0.577 . . . . 0.0 109.882 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.6 m -109.39 121.18 44.61 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -85.99 -179.61 6.81 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -75.0 -2.91 29.39 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.735 0.779 . . . . 0.0 110.544 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.06 -10.04 57.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 72.58 -0.44 3.31 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.078 1.751 . . . . 0.0 113.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 6' ' ' LEU . 9.1 tpt180 -93.67 152.9 18.67 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.35 118.11 20.96 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.14 109.6 20.17 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 171.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.2 137.55 43.95 Favored 'General case' 0 C--N 1.276 -2.595 0 CA-C-O 121.372 0.606 . . . . 0.0 111.447 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -78.88 126.81 31.2 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.9 -175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 30' ' ' LEU . 19.2 ptmt -125.13 147.79 48.86 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.536 -176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -84.69 123.74 30.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.993 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.423 -1.785 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 p -144.63 145.1 31.6 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.09 0.471 . . . . 0.0 110.473 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.615 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 24.1 tt0 -89.63 110.47 21.34 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -133.85 150.19 51.38 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.054 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -46.53 135.78 8.18 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.62 127.75 32.83 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.74 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -84.9 -50.41 7.54 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.662 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 m -81.43 -31.5 33.08 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.607 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 40.0 t80 -80.73 94.65 6.42 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -96.12 16.76 17.2 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.38 0.61 . . . . 0.0 112.552 -174.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.67 173.9 15.0 Favored Glycine 0 C--N 1.28 -2.539 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.395 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -75.45 157.74 40.74 Favored 'Trans proline' 0 C--O 1.253 1.241 0 C-N-CA 122.614 2.209 . . . . 0.0 110.782 172.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.0 t -100.89 132.53 46.25 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.667 179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.81 -61.72 1.33 Allowed 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -98.96 123.75 43.46 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.737 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 85.3 m -54.52 -42.2 70.56 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.897 0.38 . . . . 0.0 111.809 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.68 -22.61 66.29 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.818 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -77.78 -40.37 41.0 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 120.875 0.369 . . . . 0.0 110.094 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -77.08 -34.96 56.94 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.95 -45.82 89.54 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.99 -41.02 86.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.323 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 23.0 t60 -67.02 -47.97 69.79 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 94.8 m -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.0 mmtt -72.74 -53.07 12.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.126 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -81.87 -51.63 7.91 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.73 -48.11 9.13 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.013 -175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.5 mm-40 -79.96 -20.58 45.23 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.417 -177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.0 m80 61.02 31.92 19.88 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.675 0.79 . . . . 0.0 110.915 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 44' ' ' THR . 78.9 mt -90.65 177.05 6.45 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.913 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -65.88 -42.01 90.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.193 0.308 . . . . 0.0 110.841 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -172.72 176.02 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.036 0.534 . . . . 0.0 110.128 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.39 130.23 5.33 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.615 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 56.9 mtp180 -120.48 137.02 54.58 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.929 0.871 . . . . 0.0 111.967 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.2 m -100.46 105.44 16.91 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.859 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.336 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.17 -23.21 67.33 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.897 0.856 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.61 -15.39 63.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.173 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 73.87 -0.4 3.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 126.044 1.738 . . . . 0.0 111.153 -175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.01 148.48 22.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 98.1 m -90.52 120.34 31.54 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.6 m-90 -108.25 108.62 19.72 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -105.73 146.85 29.26 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.416 0.627 . . . . 0.0 111.525 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 2.4 m -78.97 108.52 12.5 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.175 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.9 ptpt -127.65 175.22 8.45 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.962 0.411 . . . . 0.0 111.003 -176.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.61 137.61 36.26 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.982 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.279 -2.487 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.642 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.411 -2.385 0 CA-C-O 121.68 0.753 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.621 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 6.8 p -111.03 114.55 27.93 Favored 'General case' 0 C--N 1.275 -2.657 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 11.1 tt0 -90.17 110.24 21.28 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -128.94 148.49 50.94 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.976 -168.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.64 140.5 41.04 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.89 104.53 16.59 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.427 -1.261 . . . . 0.0 108.355 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.52 -26.85 37.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.572 0.701 . . . . 0.0 109.445 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -38.5 79.02 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.264 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -87.03 79.76 8.6 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -85.0 108.48 17.62 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.848 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.38 158.72 8.48 Favored Glycine 0 N--CA 1.416 -2.674 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -74.19 158.22 45.43 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 122.27 1.98 . . . . 0.0 111.18 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.8 t -83.08 98.53 9.35 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.97 -33.74 18.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.431 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 27.4 m -131.41 121.52 24.73 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 27.8 m -65.36 -35.44 80.97 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.6 73.78 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.948 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.431 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 11.9 p -71.51 -34.57 70.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 117.2 0.5 . . . . 0.0 111.619 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.68 -50.84 69.55 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.403 0.621 . . . . 0.0 109.632 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.26 -45.36 93.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.689 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.45 -44.16 96.12 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.637 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -62.36 -51.13 68.84 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 120.818 0.342 . . . . 0.0 110.137 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.36 -29.67 70.74 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 62.4 mtpt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -89.93 -40.97 12.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -90.11 -50.28 6.09 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 22.2 mm-40 -78.77 -19.81 51.35 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.945 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 m80 63.01 30.05 16.36 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.097 0.959 . . . . 0.0 111.47 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 28' ' ' GLU . 68.4 mt -88.74 179.12 6.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.548 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -71.6 -44.85 63.7 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -164.42 165.36 21.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.84 122.95 4.89 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.04 136.01 53.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.92 0.867 . . . . 0.0 112.725 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 56.1 m -93.8 113.55 25.62 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.823 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 14.5 mmt85 -87.46 177.25 7.15 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.797 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -48.07 -37.12 14.4 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.592 1.557 . . . . 0.0 113.593 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -84.82 8.36 17.58 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 67.83 18.57 9.67 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.808 0.843 . . . . 0.0 111.963 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -93.6 152.69 18.85 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.622 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.84 105.16 17.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.799 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.48 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -101.68 103.66 14.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 173.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -95.5 141.33 29.16 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-O 121.341 0.591 . . . . 0.0 111.02 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -79.34 109.0 13.29 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.171 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.621 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 18.2 ptpt -118.36 171.86 7.85 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.476 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -100.61 125.37 46.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 120.983 0.421 . . . . 0.0 111.45 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.289 -2.065 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.622 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 120.857 0.361 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -125.74 125.38 42.89 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.9 tt0 -89.94 109.32 20.35 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -134.83 150.09 50.44 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.63 137.91 58.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.13 139.34 50.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.683 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.32 -47.65 4.86 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.713 -174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -75.82 -20.68 57.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.002 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -74.0 128.04 34.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -115.92 139.39 50.28 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.615 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.41 -176.91 34.41 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.754 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.88 166.91 13.03 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 C-N-CA 122.705 2.27 . . . . 0.0 110.965 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 37.1 t -86.96 106.41 17.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.084 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.84 -55.61 3.49 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 m -108.49 110.84 22.44 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 11.8 t -62.32 -31.55 72.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.477 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.4 -39.81 97.24 Favored Glycine 0 N--CA 1.435 -1.405 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -69.89 -38.57 76.38 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 t -61.44 -47.57 85.14 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.457 0.646 . . . . 0.0 109.447 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -46.48 87.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.55 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.46 -42.86 99.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.158 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 87.6 m -68.03 -30.22 69.39 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.21 -41.17 61.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.868 0.365 . . . . 0.0 111.307 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.2 -60.13 2.09 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -81.13 -44.81 17.36 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 120.742 0.306 . . . . 0.0 111.555 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 4.9 mm-40 -79.09 -15.62 57.92 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.124 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 58.91 30.01 19.62 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.87 0.868 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -94.34 -172.09 2.69 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.686 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 33.6 ttt180 -84.72 -43.94 13.84 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 120.572 0.225 . . . . 0.0 110.626 -174.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -161.94 174.69 12.74 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.79 128.17 4.33 Favored Glycine 0 N--CA 1.435 -1.407 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -131.63 149.55 52.46 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.658 0.742 . . . . 0.0 110.606 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.4 m -111.48 121.01 44.07 Favored 'General case' 0 C--N 1.282 -2.339 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.157 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -85.69 175.35 8.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.989 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.53 -15.22 60.56 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 122.138 0.971 . . . . 0.0 111.096 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.03 -17.14 64.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.606 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 69.88 15.38 7.88 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.234 1.414 . . . . 0.0 111.165 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -105.44 147.13 28.6 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -82.11 114.17 20.47 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -105.91 113.43 26.98 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 174.18 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.9 m -109.57 140.19 43.67 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-O 121.613 0.721 . . . . 0.0 111.432 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -79.86 116.19 19.87 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.476 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -109.51 148.62 30.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.573 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.5 m-20 -83.6 126.99 33.41 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.011 0.434 . . . . 0.0 111.089 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.266 1.938 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.264 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 44' ' ' THR . 25.2 p . . . . . 0 N--CA 1.434 -1.273 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -140.18 149.08 42.51 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.67 127.25 56.06 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -142.59 160.47 40.23 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.6 137.87 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.98 131.59 46.18 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.524 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.68 -50.34 7.73 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 m -75.8 -24.83 55.95 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.823 -0.548 . . . . 0.0 110.823 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 30.2 t80 -82.92 80.02 9.11 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.907 0.86 . . . . 0.0 109.502 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -90.48 108.62 19.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.36 172.25 21.39 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.72 153.29 13.32 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 122.657 2.238 . . . . 0.0 110.858 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -89.02 114.32 25.51 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.698 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.6 -39.09 8.06 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.404 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 6.8 m -120.81 111.47 17.61 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 8.8 t -59.51 -33.74 71.73 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.42 -35.64 92.32 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.404 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 19.8 m -65.96 -42.61 89.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.265 0.555 . . . . 0.0 109.588 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.18 -49.12 75.52 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.189 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.09 -37.93 86.91 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.23 -51.02 63.58 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 41.7 t60 -59.75 -51.35 70.15 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.046 0.841 . . . . 0.0 110.888 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 90.4 m -63.42 -45.25 91.84 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -78.69 -35.58 44.84 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -90.62 -60.68 1.85 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -76.26 -44.07 38.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.862 0.363 . . . . 0.0 111.385 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 5.9 mm-40 -79.05 -13.14 59.95 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.759 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 m80 57.16 43.55 23.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 123.872 0.869 . . . . 0.0 112.737 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 45' ' ' LYS . 51.5 mt -101.23 -177.17 3.37 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -80.55 -49.26 11.57 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -154.69 162.38 41.15 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.45 130.66 4.68 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.44 153.35 50.13 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.808 0.813 . . . . 0.0 111.208 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.4 m -94.81 130.01 41.55 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.356 -177.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -104.61 -178.57 3.69 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.163 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.32 -44.94 11.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.847 1.659 . . . . 0.0 112.919 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -79.06 6.39 9.56 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.002 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 68.78 12.38 8.64 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 124.539 1.135 . . . . 0.0 111.756 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -98.22 154.08 18.03 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.9 m -88.04 118.08 27.35 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -103.17 115.93 31.51 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 171.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.9 m -120.32 136.7 54.6 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-O 121.414 0.626 . . . . 0.0 111.343 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 2' ' ' THR . 24.9 m -79.9 123.96 28.24 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.131 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' CB ' HD22 ' A' ' 30' ' ' LEU . 18.6 ptmt -122.34 159.05 28.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.174 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -92.96 127.45 38.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.171 0.51 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.292 -1.928 0 C-N-CA 124.424 1.089 . . . . 0.0 108.865 -179.665 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.443 HG21 HH11 ' A' ' 31' ' ' ARG . 24.5 p . . . . . 0 N--CA 1.43 -1.437 0 CA-C-O 121.495 0.664 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.2 m -87.74 148.0 24.94 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.077 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' OE1' ' HD2' ' A' ' 34' ' ' ARG . 28.4 tt0 -116.68 109.68 17.49 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.85 136.98 53.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.299 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 136.05 57.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -80.53 112.66 18.1 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.232 176.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -72.4 -32.85 66.73 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -69.05 -29.02 67.07 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.271 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.44 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 35.9 t80 -85.88 83.15 7.89 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -92.69 88.72 6.37 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.1 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.47 171.98 26.02 Favored Glycine 0 N--CA 1.424 -2.16 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.59 150.91 22.04 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.725 2.284 . . . . 0.0 111.39 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 41.3 t -76.14 108.61 9.18 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.036 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.63 -27.6 14.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.581 0.705 . . . . 0.0 109.656 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -140.17 121.78 15.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.3 t -67.82 -31.02 70.59 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 120.722 0.296 . . . . 0.0 110.789 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.78 -36.56 93.51 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 m -70.16 -30.41 67.54 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.073 0.464 . . . . 0.0 109.819 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.14 -46.14 57.71 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.54 -51.28 69.17 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.714 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.69 -42.23 92.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.369 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.46 -55.68 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.639 0.776 . . . . 0.0 110.406 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.71 -29.51 70.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.035 0.445 . . . . 0.0 111.972 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 48.0 mtpt -80.13 -48.83 12.59 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -91.03 -33.61 15.45 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -87.82 -51.16 6.0 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.079 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -85.52 -14.74 45.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.636 -177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.3 m80 63.49 34.6 12.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.051 0.941 . . . . 0.0 111.53 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 87.9 mt -103.95 -179.92 4.09 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.28 -177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 2' ' ' THR . 68.5 ttt180 -57.64 -52.31 65.94 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.594 0.758 . . . . 0.0 111.905 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -169.37 -174.54 1.98 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.53 161.12 26.58 Favored Glycine 0 N--CA 1.43 -1.758 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD2' ' OE1' ' A' ' 4' ' ' GLU . 5.1 ptp180 -155.66 147.48 23.2 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 117.305 0.553 . . . . 0.0 110.576 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.0 m -104.06 113.26 26.68 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.7 mmt180 -84.44 -179.27 7.13 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.46 -20.54 31.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.259 1.024 . . . . 0.0 113.319 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.24 13.94 8.72 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.255 -0.278 . . . . 0.0 111.478 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 50.1 27.39 2.51 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.922 1.689 . . . . 0.0 114.221 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -115.87 165.64 12.86 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 m -95.57 122.75 38.65 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ3' ' HB2' ' A' ' 36' ' ' ARG . 5.3 m-90 -106.71 118.92 37.93 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.029 -1.441 . . . . 0.0 107.131 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 80.7 m -87.53 138.7 31.24 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 m -95.58 120.53 36.0 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 19.5 ptmt -132.83 148.51 52.31 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.303 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.45 137.13 38.5 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 120.826 0.345 . . . . 0.0 111.014 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.291 -1.969 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.35 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.41 -2.473 0 CA-C-O 121.196 0.522 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.49 144.17 48.15 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.86 124.8 11.99 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.786 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -138.12 165.98 25.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.07 143.8 57.46 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.439 0.638 . . . . 0.0 111.638 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.85 124.36 27.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.787 175.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.18 -37.45 8.93 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.095 0.474 . . . . 0.0 110.065 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -68.98 -35.25 76.51 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.554 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -73.48 121.28 20.32 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -112.43 121.85 46.04 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.212 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.94 165.91 13.08 Favored Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.949 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.08 141.4 20.87 Favored 'Trans proline' 0 C--O 1.245 0.865 0 C-N-CA 122.435 2.09 . . . . 0.0 111.071 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 44.6 t -94.18 117.5 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 120.948 0.404 . . . . 0.0 110.586 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.97 -46.29 6.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -109.91 109.32 19.91 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.688 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 15.0 t -57.9 -33.59 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.89 -30.49 77.4 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.884 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -73.01 -37.55 66.9 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.974 0.416 . . . . 0.0 110.136 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -79.31 -32.05 43.35 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.5 t70 -57.94 -45.04 87.23 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.15 -46.48 88.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.532 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -59.99 -53.88 52.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.24 -31.22 72.32 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 44.7 mtmt -80.14 -35.29 36.86 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.948 -0.47 . . . . 0.0 111.314 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -90.08 -60.15 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -67.64 -50.09 59.7 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.556 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.49 -10.92 41.85 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 61.28 29.79 18.83 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 122.215 1.007 . . . . 0.0 110.421 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 45' ' ' LYS . 72.5 mt -87.66 -172.58 3.94 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.67 -0.644 . . . . 0.0 109.819 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.533 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 22.9 ttt180 -75.27 -51.42 13.32 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -168.55 176.16 5.85 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 141.99 13.37 Favored Glycine 0 N--CA 1.428 -1.898 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -140.09 120.09 13.62 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 122.079 0.942 . . . . 0.0 111.583 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 34.8 m -87.71 123.28 32.37 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 114.354 -1.294 . . . . 0.0 108.746 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -74.24 174.19 9.12 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.137 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.6 -19.25 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.293 0.568 . . . . 0.0 111.044 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.75 7.04 9.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.117 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 70.16 17.13 7.29 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.176 0.991 . . . . 0.0 112.05 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.14 133.36 45.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 66.9 m -80.03 108.3 13.5 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.693 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.25 115.26 29.96 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 170.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.6 m -107.0 123.66 48.51 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 121.923 0.868 . . . . 0.0 112.603 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -79.82 136.71 36.78 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.285 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 30' ' ' LEU . 25.0 pttm -135.61 164.92 26.75 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.533 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.5 m-20 -99.19 140.89 32.68 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.002 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.418 -2.04 0 CA-C-O 120.984 0.421 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.14 145.3 27.33 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -148.88 116.31 6.17 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -173.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.02 164.94 26.5 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.865 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.28 139.45 49.98 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.716 0.769 . . . . 0.0 112.42 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.503 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.03 103.9 15.81 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.972 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.36 -18.89 47.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m -76.42 -20.44 57.09 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.89 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.19 121.41 27.04 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -102.56 111.66 24.07 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.112 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.65 169.75 17.83 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.465 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.52 144.54 14.26 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.644 2.229 . . . . 0.0 109.837 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.64 124.32 32.79 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.245 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.39 -42.26 4.86 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.384 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -112.46 120.07 40.38 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.1 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.529 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 32.9 m -54.93 -40.08 69.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.097 0.559 . . . . 0.0 111.658 -176.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.85 -36.93 56.53 Favored Glycine 0 C--N 1.336 0.562 0 O-C-N 123.252 0.345 . . . . 0.0 113.72 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -66.0 -34.18 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.597 0.713 . . . . 0.0 110.317 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -87.56 -38.55 15.88 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.86 0.838 . . . . 0.0 109.772 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.98 -44.82 94.24 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.756 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.53 -41.1 98.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.763 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.02 -60.44 3.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.424 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.5 m -69.64 -24.45 63.63 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 43.4 mtmt -80.24 -40.95 26.01 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.807 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -90.08 -50.16 6.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -75.68 -50.74 14.5 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.182 0.515 . . . . 0.0 110.323 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -86.63 -15.31 40.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.568 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.523 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 t-80 60.08 39.33 19.84 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 122.408 1.099 . . . . 0.0 110.979 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -98.24 -174.8 2.94 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.104 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -70.3 -54.59 11.97 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.1 m -159.26 166.71 30.72 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.2 121.65 4.16 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -122.81 144.78 48.96 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.893 0.854 . . . . 0.0 111.919 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 23.4 m -107.46 131.56 54.16 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.166 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -103.15 173.95 6.08 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.827 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -66.33 -13.1 60.03 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -12.52 61.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.734 1.214 . . . . 0.0 109.86 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 77.12 4.6 3.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.917 1.687 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -95.23 152.49 18.32 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.734 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.75 115.9 28.36 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.715 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -104.41 116.34 31.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 76.8 m -102.3 126.77 49.4 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-O 121.572 0.701 . . . . 0.0 110.514 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.3 m -95.82 135.07 38.02 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.711 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -133.92 155.31 50.14 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.39 139.2 30.75 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.945 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.304 -1.409 0 C-N-CA 123.415 0.686 . . . . 0.0 109.255 -178.228 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.416 HG21 ' HD2' ' A' ' 31' ' ' ARG . 9.8 p . . . . . 0 N--CA 1.417 -2.124 0 CA-C-O 121.285 0.564 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -106.76 123.19 47.78 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.676 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.5 tt0 -96.42 119.41 34.86 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.48 164.46 27.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.14 140.2 57.94 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.48 122.35 26.34 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.483 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -96.46 -38.1 10.16 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.211 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 m -75.73 -30.73 59.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.364 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.31 127.56 33.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -108.43 146.16 33.51 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.962 0.41 . . . . 0.0 110.494 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.63 162.34 36.04 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.65 166.43 29.8 Favored 'Trans proline' 0 C--O 1.244 0.807 0 C-N-CA 122.297 1.998 . . . . 0.0 110.918 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -87.78 100.87 13.17 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -90.7 -31.91 16.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 m -132.59 119.41 20.45 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -68.22 -24.78 64.97 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.13 -46.59 93.55 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -62.29 -35.07 77.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 110.457 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.21 -48.1 31.14 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.463 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 33.7 t70 -64.3 -39.9 94.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.808 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.17 -42.08 89.92 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.685 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -66.65 -54.61 21.37 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.531 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.56 -39.46 84.13 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.173 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.7 mttm -70.98 -60.1 2.42 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -82.04 -44.9 16.01 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.05 -50.57 14.41 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.062 0.458 . . . . 0.0 111.463 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.67 -6.86 42.34 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.434 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.4 m-70 63.94 28.9 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.9 0.88 . . . . 0.0 112.394 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 43.0 mt -94.93 -175.2 3.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.6 ttt180 -78.85 -59.16 2.89 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -150.2 158.79 44.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.137 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 21' ' ' ASP . . . -113.88 104.96 1.53 Allowed Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -108.81 132.46 53.98 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 -174.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -96.4 132.04 42.33 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.101 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -107.1 -179.44 3.93 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.79 -37.7 60.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.949 1.3 . . . . 0.0 113.654 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.55 7.38 8.35 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.362 0.601 . . . . 0.0 111.481 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 65.85 6.27 3.88 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.835 1.254 . . . . 0.0 113.978 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -91.1 159.77 15.93 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -90.88 129.12 36.95 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.2 m-90 -115.88 109.34 17.48 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.292 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.7 123.87 32.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 2.0 m -80.43 109.8 15.28 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 21.8 pttp -115.47 166.33 12.01 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -82.94 133.1 35.13 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.519 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.286 -2.176 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 31' ' ' ARG . 3.1 p . . . . . 0 N--CA 1.42 -1.931 0 CA-C-O 120.953 0.406 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.4 m -116.04 137.0 52.51 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 35.7 tt0 -94.92 109.95 21.89 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 m120 -137.18 163.75 30.12 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.647 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' CG ' ' A' ' 40' ' ' ARG . 60.6 mt -64.74 137.3 57.72 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.73 128.68 33.91 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.649 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.9 t70 -90.47 -39.34 12.67 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 m -69.54 -31.88 70.35 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 120.993 0.425 . . . . 0.0 110.91 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -80.45 87.22 5.69 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 48.7 mtmt -101.72 96.4 7.06 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 177.96 33.33 Favored Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HG2' ' CE1' ' A' ' 15' ' ' PHE . 59.1 Cg_endo -85.73 146.73 9.4 Favored 'Trans proline' 0 N--CA 1.431 -2.157 0 C-N-CA 121.81 1.673 . . . . 0.0 111.649 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 t -73.7 108.9 6.81 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.621 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 48.4 m-85 -87.55 -46.02 9.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.1 m -125.98 127.23 45.61 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.481 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.5 m -64.36 -32.37 73.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.504 0.193 . . . . 0.0 111.25 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.37 93.81 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.248 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -65.98 -35.2 79.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.243 0.617 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.93 -49.02 56.07 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.395 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.46 -46.92 80.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.57 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.7 -48.41 81.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.558 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.47 -54.55 44.15 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 122.639 0.376 . . . . 0.0 111.365 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.97 -29.84 70.29 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 46.3 mtpt -80.58 -42.31 22.53 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -89.31 -40.87 12.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -174.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -89.9 -50.42 6.04 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.174 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.66 -16.87 43.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.045 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 78.5 m80 64.35 26.62 13.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.141 0.977 . . . . 0.0 112.811 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -172.94 4.45 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.927 0.491 . . . . 0.0 110.78 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.9 ttt180 -72.07 -49.9 32.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.549 0.214 . . . . 0.0 110.861 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.2 p -168.61 173.16 7.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 126.16 6.36 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -115.52 135.97 53.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 60.2 m -99.3 126.48 45.15 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -109.8 170.67 7.92 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.67 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -50.09 -33.39 18.41 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.931 1.292 . . . . 0.0 113.712 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 3.23 6.48 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 70.6 -0.76 2.81 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.55 1.54 . . . . 0.0 113.819 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CG ' HD22 ' A' ' 6' ' ' LEU . 9.3 tpt180 -96.75 158.0 15.63 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -86.42 122.43 30.36 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 2.0 m-90 -105.68 100.3 9.87 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -97.77 142.75 29.16 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.41 0.624 . . . . 0.0 110.9 -174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -85.04 114.89 22.52 Favored 'General case' 0 N--CA 1.42 -1.955 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.553 -177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 5' ' ' ASN . 22.6 pttp -114.25 158.51 21.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -89.31 126.25 35.44 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.236 0.541 . . . . 0.0 111.031 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.286 -2.16 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.491 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.425 -1.705 0 CA-C-O 121.209 0.528 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 p -111.1 129.42 55.93 Favored 'General case' 0 C--N 1.275 -2.655 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.062 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.32 111.4 23.97 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -132.96 147.16 52.28 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.95 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.08 141.97 57.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -81.64 129.48 34.71 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.91 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -94.55 -36.85 11.65 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 m -71.89 -21.72 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.575 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -80.71 99.48 8.23 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -99.03 105.34 17.46 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.303 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.34 162.91 10.9 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.32 156.56 29.28 Favored 'Trans proline' 0 C--O 1.244 0.813 0 C-N-CA 122.523 2.148 . . . . 0.0 111.419 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 41.8 t -88.98 112.28 23.16 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.332 0.586 . . . . 0.0 111.498 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -104.52 -48.26 3.86 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -95.49 103.34 15.2 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 5.0 m -58.96 -36.8 75.42 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 124.155 0.982 . . . . 0.0 109.984 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.86 92.54 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.295 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -77.85 -28.79 50.22 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 t -71.87 -42.61 66.66 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -44.9 92.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.854 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.55 -35.82 81.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.761 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -64.54 -55.09 22.78 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.481 0.712 . . . . 0.0 110.368 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.0 m -59.96 -36.98 78.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.487 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 94.7 mttt -67.08 -57.2 7.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.68 -60.66 2.23 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -65.26 -43.69 90.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.164 0.507 . . . . 0.0 112.249 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.17 -5.22 44.5 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 63.24 24.49 14.34 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.003 0.921 . . . . 0.0 111.777 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 64.5 mt -95.28 179.86 5.03 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 120.764 0.316 . . . . 0.0 111.447 -175.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' THR . 55.4 ttt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.457 -176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -156.01 173.27 17.04 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -134.19 133.6 6.95 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.42 145.3 48.06 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.195 0.521 . . . . 0.0 111.159 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 53.0 m -107.42 115.6 30.44 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -91.98 -179.41 5.28 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.596 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.48 -34.69 17.58 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.394 1.477 . . . . 0.0 113.38 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.73 -0.83 19.43 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 68.42 14.86 9.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.321 0.648 . . . . 0.0 109.714 -173.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -101.08 153.23 19.73 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -92.92 116.9 29.47 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.16 107.77 18.18 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.653 174.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m -78.79 139.87 38.32 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 49.5 m -110.05 118.61 36.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -125.42 171.09 10.74 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -96.92 118.08 32.54 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.2 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.284 -2.279 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.561 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.42 -1.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -124.23 152.73 42.59 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 29.2 tt0 -126.08 138.29 53.69 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -146.08 152.84 39.96 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.95 148.74 34.11 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.49 117.97 29.6 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.385 -1.28 . . . . 0.0 108.211 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.35 -44.15 30.45 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.475 0.71 . . . . 0.0 112.248 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -73.98 -33.96 64.04 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.337 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -68.42 114.39 6.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -115.13 135.57 54.05 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.626 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.29 167.85 16.8 Favored Glycine 0 C--N 1.299 -1.491 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -83.75 144.21 11.0 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.378 2.052 . . . . 0.0 111.052 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 t -72.22 112.38 8.25 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.264 0.554 . . . . 0.0 111.767 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -91.73 -66.58 0.92 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m -100.32 115.86 30.96 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -57.51 -34.1 68.73 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.58 -34.43 76.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.84 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -72.3 -35.3 68.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.377 0.608 . . . . 0.0 109.801 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.71 -41.57 68.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.519 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 23.8 t70 -63.8 -37.16 86.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 176.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -43.31 94.82 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.878 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 41.2 t60 -62.5 -47.8 82.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.772 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.77 -39.35 87.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE2' ' OD2' ' A' ' 21' ' ' ASP . 39.5 mttm -77.6 -53.72 7.24 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.965 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.25 -38.84 21.67 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 13.0 mptt -90.24 -50.79 5.78 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.362 -176.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -85.63 -12.53 51.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.7 m-70 63.76 29.29 14.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.86 0.864 . . . . 0.0 112.873 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.3 mt -97.85 -175.69 3.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.222 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -71.05 -55.46 8.21 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -156.14 171.43 20.17 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.5 142.07 13.24 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -131.26 150.19 52.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.546 0.689 . . . . 0.0 110.903 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.4 m -109.03 119.1 38.54 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -97.38 -178.8 4.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.587 -175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.63 -13.52 32.7 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.466 1.107 . . . . 0.0 113.724 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.38 1.17 56.86 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.341 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 64.09 14.33 8.46 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.321 1.448 . . . . 0.0 113.238 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -100.77 162.39 12.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 m -89.81 126.5 35.71 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -117.55 116.88 27.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.129 177.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -92.19 133.71 35.54 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -92.85 130.89 38.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.816 0.846 . . . . 0.0 108.999 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 59.3 pttt -137.56 166.06 24.81 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -86.66 127.13 34.92 Favored 'General case' 0 CA--C 1.484 -1.583 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.642 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 33.6 m . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 118.188 -0.91 . . . . 0.0 109.155 -173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.406 -2.65 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -114.4 134.09 55.24 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.488 ' HG2' ' CD1' ' A' ' 42' ' ' TRP . 40.9 tt0 -97.27 115.75 28.22 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.395 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -134.68 143.05 47.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.577 0.351 . . . . 0.0 110.427 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 41' ' ' CYS . 20.0 mt -59.33 138.2 57.72 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.81 103.25 15.46 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 172.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.97 -31.02 44.82 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.335 0.588 . . . . 0.0 110.546 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.487 HG23 ' NE2' ' A' ' 23' ' ' HIS . 11.8 t -77.9 -8.93 58.76 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.52 -178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -81.6 113.41 19.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -96.64 135.53 38.44 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.073 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.95 -172.65 28.44 Favored Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.672 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -86.28 166.11 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 123.133 2.556 . . . . 0.0 110.994 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 t -77.26 109.59 11.27 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -77.69 -50.53 12.24 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 19' ' ' SER . 1.9 t -141.67 144.0 33.89 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -75.45 -13.76 60.4 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.96 -46.82 50.15 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.478 ' H ' HG23 ' A' ' 16' ' ' THR . 41.2 t -62.74 -42.74 99.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.45 -43.14 99.39 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.966 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.99 -43.0 99.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.047 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.7 -40.87 92.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' NE2' HG23 ' A' ' 9' ' ' THR . 24.1 t60 -60.16 -47.96 83.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.386 176.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.51 -41.91 98.49 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 53.7 mttp -67.5 -45.05 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.12 -60.02 2.01 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 26.3 tptp -64.88 -50.05 68.09 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.087 0.555 . . . . 0.0 111.574 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -93.86 -13.74 26.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.316 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 35.5 t-80 53.19 63.75 2.11 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.857 1.263 . . . . 0.0 111.519 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.5 mt -121.29 -174.8 2.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.585 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -68.74 -56.82 6.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.453 0.644 . . . . 0.0 111.459 -175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -158.68 -177.29 6.42 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.166 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.83 135.23 5.98 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -136.46 119.93 16.99 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.155 0.502 . . . . 0.0 109.912 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.0 140.64 50.89 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -107.11 -178.66 3.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.486 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -57.68 -27.64 63.08 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.468 1.107 . . . . 0.0 112.905 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -71.55 -4.83 29.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.803 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 67.22 14.41 9.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.349 1.059 . . . . 0.0 112.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -106.02 164.76 11.71 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.3 m -88.73 122.93 32.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 4' ' ' GLU . 3.6 m-90 -113.39 126.09 54.97 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.257 173.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 78.0 m -98.31 146.28 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.094 0.473 . . . . 0.0 110.217 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -95.51 113.42 25.08 Favored 'General case' 0 C--N 1.287 -2.109 0 C-N-CA 124.015 0.926 . . . . 0.0 108.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -109.82 151.71 26.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.14 133.27 39.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.1 0.476 . . . . 0.0 112.146 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.485 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.428 -1.558 0 CA-C-O 120.964 0.412 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 m -115.63 118.38 32.93 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.719 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -89.65 114.54 26.17 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.35 151.72 51.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 40' ' ' ARG . 13.5 mt -60.31 135.82 57.85 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.1 99.58 11.84 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.576 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -95.35 -10.88 28.85 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m -68.94 -39.55 79.49 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.428 -1.26 . . . . 0.0 107.8 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -72.89 130.81 41.25 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -79.61 104.89 10.52 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.429 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -172.23 38.74 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.778 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.98 -179.84 4.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.419 2.746 . . . . 0.0 111.761 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.1 t -93.44 106.99 18.9 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -96.53 -25.82 15.5 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -140.97 118.62 11.63 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.291 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 18.2 m -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.821 0.848 . . . . 0.0 111.144 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.62 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.932 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -71.28 -40.56 70.84 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.64 -49.88 64.77 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.927 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.33 -41.27 89.86 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.798 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.66 -42.09 92.08 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.732 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 22.5 t60 -62.55 -56.26 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.757 -178.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.84 -32.14 73.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -80.0 -60.92 2.15 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.006 0.432 . . . . 0.0 111.573 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.06 -39.49 55.34 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 28.4 tptp -85.13 -50.49 7.37 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 122.407 -0.183 . . . . 0.0 111.39 -177.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -96.04 -7.44 36.22 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.82 35.46 6.7 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.739 0.78 . . . . 0.0 111.385 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.39 179.77 4.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -72.51 -55.8 6.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.0 m -160.57 168.07 25.77 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.9 125.82 5.97 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -123.04 139.78 53.72 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.449 0.642 . . . . 0.0 111.602 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.0 m -93.33 115.05 27.63 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.67 -179.3 4.55 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.021 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.89 -37.64 44.9 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.966 1.306 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -1.76 8.73 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.167 0.587 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 71.28 6.0 5.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.904 1.282 . . . . 0.0 109.405 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 6' ' ' LEU . 69.9 mtm180 -90.72 148.54 22.52 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.704 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 62.4 m -82.89 110.46 17.91 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.179 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.08 105.44 15.61 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 173.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.9 m -104.44 138.4 40.9 Favored 'General case' 0 C--N 1.279 -2.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 m -86.61 122.8 31.04 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.232 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -108.86 146.41 33.75 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -85.11 117.19 23.91 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.421 -1.884 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -140.41 148.29 41.0 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 34.8 tt0 -97.01 133.75 41.28 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -153.09 153.37 32.7 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.51 143.31 29.95 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.56 111.03 20.8 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.786 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.83 -39.72 76.28 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.386 0.612 . . . . 0.0 110.204 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 m -69.87 -23.35 63.26 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.769 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.94 108.14 9.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -94.69 117.39 30.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.52 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.03 -170.48 14.6 Favored Glycine 0 C--N 1.303 -1.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.654 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.75 166.61 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 123.273 2.649 . . . . 0.0 111.957 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -83.68 117.18 23.03 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.045 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -97.58 -32.51 11.76 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -139.83 122.65 16.52 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 23.3 m -58.58 -40.98 84.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.982 0.513 . . . . 0.0 111.326 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.74 -33.02 86.12 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.48 -0.39 . . . . 0.0 112.762 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 t -72.66 -31.3 64.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.575 0.702 . . . . 0.0 109.133 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.58 -46.01 56.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.282 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 33.2 t70 -56.86 -40.61 76.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.755 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.829 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.73 -50.8 70.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.848 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.52 -38.16 90.06 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.127 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 7.8 mtpm? -77.87 -45.5 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.46 -60.3 2.03 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.7 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -71.37 -47.08 58.52 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.008 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.51 -8.14 55.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 61.38 27.91 17.44 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.986 0.514 . . . . 0.0 112.093 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 45' ' ' LYS . 78.3 mt -103.4 177.31 4.88 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 51.8 ttt180 -66.38 -57.29 7.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -155.04 166.04 34.83 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 122.088 -0.383 . . . . 0.0 110.114 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.78 124.85 5.52 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -124.25 127.16 47.26 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.0 m -81.81 127.63 33.18 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -103.77 178.83 4.45 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.274 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.57 -21.19 62.31 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.067 0.947 . . . . 0.0 113.14 -173.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -83.14 1.96 37.86 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.29 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 68.45 4.79 4.43 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.395 1.478 . . . . 0.0 113.731 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -95.56 162.14 13.76 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 m -93.0 125.39 37.56 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.9 m-90 -111.11 120.49 42.51 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.27 176.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 38.1 m -104.04 141.19 36.64 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 m -83.55 109.05 17.07 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.6 ptpt -110.33 170.92 7.77 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -100.59 129.44 46.52 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.275 -2.668 0 C-N-CA 123.444 0.697 . . . . 0.0 109.217 178.295 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 121.058 0.456 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.5 m -117.67 139.16 51.39 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -89.74 122.21 32.62 Favored 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -151.93 157.18 41.44 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.599 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.63 138.79 51.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.7 135.13 57.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.224 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.91 -51.31 6.46 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.198 -170.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.466 ' HB ' ' NE2' ' A' ' 23' ' ' HIS . 6.2 m -89.23 -21.87 23.03 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.196 0.522 . . . . 0.0 110.63 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 27.7 t80 -79.76 94.81 5.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -104.67 11.16 34.38 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.517 0.675 . . . . 0.0 111.587 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.76 179.23 28.93 Favored Glycine 0 C--N 1.286 -2.205 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.775 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -94.74 140.48 1.21 Allowed 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 123.172 2.581 . . . . 0.0 111.094 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.2 120.81 28.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -113.79 -50.76 2.82 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -93.82 115.59 28.01 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.449 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 m -60.95 -33.89 73.89 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.91 -36.23 79.45 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.25 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -65.77 -40.11 91.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.533 0.682 . . . . 0.0 110.158 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -71.13 -39.33 72.06 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.65 -44.29 90.94 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.181 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.79 -47.15 85.74 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.779 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 62.5 t60 -62.6 -60.02 4.11 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.796 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.99 -27.11 67.17 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.62 -60.7 2.25 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.652 -0.655 . . . . 0.0 111.994 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -90.04 -44.44 9.84 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -76.43 -41.57 47.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.51 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.97 -31.24 14.35 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 66.45 62.32 0.55 Allowed 'General case' 0 C--O 1.245 0.839 0 CA-C-O 122.897 1.332 . . . . 0.0 110.512 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 67.3 mt -116.28 -178.33 3.39 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -72.5 -40.05 67.17 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 118.23 0.468 . . . . 0.0 111.691 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -170.05 168.47 8.47 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.72 117.43 2.35 Favored Glycine 0 CA--C 1.499 -0.949 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -113.74 125.26 53.91 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.317 0.58 . . . . 0.0 109.627 -172.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.9 m -84.41 131.38 34.68 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.562 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -111.17 178.08 4.45 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.48 -16.04 63.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.22 6.82 24.32 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.141 -0.349 . . . . 0.0 111.466 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 69.98 -0.35 2.78 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -100.09 157.63 16.43 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.65 130.44 39.58 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.59 108.75 20.41 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 170.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.8 m -110.12 136.61 49.08 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.376 -175.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.1 m -79.29 115.69 19.09 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 120.971 0.415 . . . . 0.0 110.173 -177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 5.9 ptpp? -117.0 165.96 12.74 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.61 144.64 30.18 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.637 179.553 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 p -140.98 139.81 34.28 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 32.7 tt0 -96.69 118.04 32.29 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -139.83 168.27 20.2 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' A' ' 40' ' ' ARG . 76.0 mt -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.144 0.497 . . . . 0.0 112.161 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 146.52 49.27 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.574 -1.194 . . . . 0.0 109.936 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.34 -45.14 5.96 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -103.34 -12.69 17.06 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.14 114.0 4.93 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -102.27 131.11 49.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.249 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.24 173.71 34.22 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.61 171.26 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.349 2.033 . . . . 0.0 111.567 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 t -82.94 113.36 20.49 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.41 -41.9 8.0 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -127.94 122.64 32.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 60.9 m -58.45 -35.7 72.53 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.37 -37.42 93.1 Favored Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.985 -0.341 . . . . 0.0 112.642 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -71.89 -38.96 69.9 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.045 0.538 . . . . 0.0 110.88 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -64.18 -48.79 74.58 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.862 0.839 . . . . 0.0 109.103 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.81 -39.98 91.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.897 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.51 -54.1 50.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.741 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -60.96 -49.84 75.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.064 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.85 -35.53 76.79 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.31 -45.73 17.35 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.797 -0.564 . . . . 0.0 111.335 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -77.14 -56.17 4.8 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -83.95 -46.65 11.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.416 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.1 -11.32 50.5 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.3 m80 60.61 37.8 19.12 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.571 0.701 . . . . 0.0 111.583 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -95.01 -178.21 4.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -73.5 -54.99 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 p -158.57 168.31 27.27 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.65 135.18 10.01 Favored Glycine 0 CA--C 1.499 -0.907 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 77.8 mtp180 -127.76 143.42 51.13 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.515 0.674 . . . . 0.0 110.833 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.3 m -105.19 106.33 16.77 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 42' ' ' TRP . 9.5 mmm180 -84.94 -179.74 7.13 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.468 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.73 -31.74 66.75 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -78.32 -4.22 46.95 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.814 0.34 . . . . 0.0 111.489 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 68.48 0.86 2.72 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.896 1.278 . . . . 0.0 114.164 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HG3' HD22 ' A' ' 6' ' ' LEU . 26.0 tpt180 -82.86 144.88 29.78 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.62 114.72 16.75 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 1.3 m-90 -101.38 102.64 13.49 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 170.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.75 139.21 38.64 Favored 'General case' 0 C--N 1.266 -3.029 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.765 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -79.11 112.47 16.35 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.573 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 19.6 ptmt -112.72 159.31 19.06 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.805 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.05 121.42 27.39 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 27.2 m . . . . . 0 C--N 1.281 -2.379 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.423 -1.789 0 CA-C-O 120.884 0.373 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -117.48 118.72 32.95 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -102.29 109.93 21.74 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.72 169.93 16.93 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.709 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.19 147.26 53.3 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -76.42 137.95 40.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.163 175.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.69 -50.15 5.9 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 28' ' ' GLU . 12.2 t -91.13 -2.99 57.46 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.031 -174.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.42 112.46 8.5 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -99.52 126.63 45.51 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 120.946 0.403 . . . . 0.0 110.342 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.13 179.71 27.45 Favored Glycine 0 N--CA 1.424 -2.133 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.388 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -89.86 171.9 3.94 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 122.622 2.215 . . . . 0.0 111.452 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -87.98 120.18 29.07 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.731 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.64 -43.65 4.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -113.95 110.84 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.2 m -58.97 -36.26 74.56 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -28.57 72.9 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -74.13 -36.7 64.2 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -65.0 -47.26 78.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.053 177.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.31 -42.34 95.34 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 0.0 110.279 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.97 -43.46 98.75 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.57 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.58 -44.98 92.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.909 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.578 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.8 m -58.62 -34.6 71.34 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 96.5 mttt -80.1 -39.36 29.74 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -90.28 -51.34 5.48 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -175.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -84.91 -45.03 12.62 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.371 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE1' HG22 ' A' ' 9' ' ' THR . 34.3 mm-40 -80.51 -20.84 42.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.281 177.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 67.08 30.81 7.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.148 0.979 . . . . 0.0 111.948 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 60.3 mt -106.59 178.38 4.58 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 120.767 0.318 . . . . 0.0 111.155 -176.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 32.8 ttt180 -57.69 -57.68 11.66 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.159 0.984 . . . . 0.0 112.531 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.3 m -158.4 -169.54 2.79 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -169.02 164.67 38.29 Favored Glycine 0 CA--C 1.484 -1.904 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -154.03 177.18 11.35 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.114 0.483 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 21.4 m -113.98 138.58 50.17 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -110.3 -178.74 3.58 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.609 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.48 -30.21 28.84 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.863 1.665 . . . . 0.0 112.908 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.23 -4.91 52.88 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.617 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.06 10.81 6.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.711 1.204 . . . . 0.0 111.635 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -92.6 151.66 20.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.1 m -84.05 125.73 32.38 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -113.01 104.95 12.9 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 113.801 -1.545 . . . . 0.0 107.481 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 67.5 m -88.31 146.52 25.26 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 19.9 m -112.9 124.31 52.31 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 22.5 pttm -121.92 160.46 24.75 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.477 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 93.9 m-20 -83.91 131.38 34.86 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 C--N 1.286 -2.193 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.01 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 p -108.65 155.93 20.13 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -107.08 160.26 15.7 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.46 120.7 9.54 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.579 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -130.04 164.26 24.71 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.472 -175.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD22 ' HG3' ' A' ' 40' ' ' ARG . 41.6 mt -68.89 138.2 54.48 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -70.54 115.51 9.8 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 172.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -80.04 -39.05 30.64 Favored 'General case' 0 C--N 1.306 -1.288 0 C-N-CA 120.19 -0.604 . . . . 0.0 112.492 -170.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.512 HG23 ' NE2' ' A' ' 23' ' ' HIS . 9.7 t -86.67 11.78 12.17 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.285 0.564 . . . . 0.0 111.014 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -100.95 98.19 8.69 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -105.64 119.4 39.04 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.23 174.45 13.67 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -84.86 157.34 11.74 Favored 'Trans proline' 0 N--CA 1.444 -1.396 0 C-N-CA 122.763 2.309 . . . . 0.0 112.226 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.1 t -86.0 110.28 19.37 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.199 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -97.82 -24.32 15.49 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 121.499 0.666 . . . . 0.0 110.064 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -141.12 121.78 14.27 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.6 m -59.71 -35.2 74.04 Favored 'General case' 0 C--O 1.209 -1.055 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.678 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.06 -43.0 88.36 Favored Glycine 0 CA--C 1.521 0.429 0 O-C-N 123.271 0.357 . . . . 0.0 112.306 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.7 m -65.39 -45.69 83.03 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.84 0.829 . . . . 0.0 110.551 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.21 -46.75 88.67 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 124.696 1.199 . . . . 0.0 109.729 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.14 -41.35 96.58 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.512 ' NE2' HG23 ' A' ' 9' ' ' THR . 36.0 t60 -64.48 -47.88 77.3 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.874 -177.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.28 -33.51 75.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.71 -46.17 32.64 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -84.33 -52.74 5.97 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.088 0.774 . . . . 0.0 113.088 -176.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -80.44 -50.49 10.02 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -80.45 -17.07 52.81 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.26 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 78.9 t60 66.85 31.33 7.34 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-O 122.371 1.082 . . . . 0.0 110.297 177.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.3 mt -105.03 -171.62 1.95 Allowed 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.047 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' A' ' 44' ' ' THR . 46.8 ttt180 -71.77 -57.53 4.27 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.9 m -156.64 178.94 9.76 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -138.54 135.59 7.52 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -126.09 139.53 53.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 24.8 m -93.52 136.31 33.92 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.17 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 9.4 mmm180 -87.47 171.58 10.43 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.582 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.29 -27.7 68.13 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.671 0.748 . . . . 0.0 109.647 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.61 8.08 10.66 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.68 -1.146 . . . . 0.0 110.939 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.28 2.34 3.96 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.862 1.665 . . . . 0.0 114.523 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' HG3' HD22 ' A' ' 6' ' ' LEU . 12.0 tpp180 -88.88 151.2 22.49 Favored 'General case' 0 C--N 1.306 -1.324 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.775 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 57.7 m -91.78 122.04 33.96 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -108.44 118.87 37.91 Favored 'General case' 0 N--CA 1.424 -1.732 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 172.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.607 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 55.9 m -93.03 122.18 35.14 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.601 -175.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 10.6 m -79.69 130.69 35.57 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 107.021 -1.474 . . . . 0.0 107.021 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -131.52 158.5 40.77 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -88.26 151.41 22.67 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 72.2 m . . . . . 0 C--N 1.293 -1.891 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.292 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 CA--C 1.509 -0.62 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.4 p -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.415 -2.204 0 CA-C-O 121.793 0.806 . . . . 0.0 110.761 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 2.0 p -120.95 166.01 14.42 Favored 'General case' 0 C--N 1.267 -3.019 0 CA-C-N 114.501 -1.227 . . . . 0.0 107.925 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -131.87 134.24 45.5 Favored 'General case' 0 C--N 1.294 -1.805 0 C-N-CA 119.401 -0.92 . . . . 0.0 110.359 -174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -142.06 160.82 39.45 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.38 144.25 57.3 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.115 0.483 . . . . 0.0 111.057 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.92 113.81 11.51 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -80.39 -42.19 23.26 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.085 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 m -69.99 -34.32 73.18 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.594 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -80.99 92.84 6.25 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -92.26 83.87 5.12 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.109 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.25 -179.7 36.51 Favored Glycine 0 N--CA 1.429 -1.802 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.702 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.78 159.62 12.09 Favored 'Trans proline' 0 N--CA 1.444 -1.383 0 C-N-CA 122.974 2.449 . . . . 0.0 111.75 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.5 t -85.52 98.8 10.83 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.705 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -80.78 -35.99 32.4 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 121.563 0.697 . . . . 0.0 109.415 177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -131.85 123.15 26.94 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.645 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 39.2 m -59.86 -38.45 82.18 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 123.477 0.486 . . . . 0.0 111.686 -176.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.3 -42.78 97.51 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.647 0.592 . . . . 0.0 111.697 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m -63.5 -45.29 91.34 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.468 0.707 . . . . 0.0 111.264 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.9 t -65.97 -48.17 72.14 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.784 0.802 . . . . 0.0 110.166 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 31.0 t70 -58.69 -46.12 87.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.949 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.72 -45.93 92.35 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.704 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.3 t60 -59.49 -49.93 75.89 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.034 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -69.73 -33.57 72.66 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -176.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 21' ' ' ASP . 15.6 ptpt -80.15 -33.62 38.32 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.647 -0.821 . . . . 0.0 113.095 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -90.2 -60.7 1.86 Allowed 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -67.09 -48.55 67.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.791 0.329 . . . . 0.0 111.639 -176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.38 -10.21 50.09 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 60.61 29.74 19.23 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.398 1.079 . . . . 0.0 110.449 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.35 179.68 6.84 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.252 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -66.8 -57.23 7.46 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-O 121.116 0.484 . . . . 0.0 110.075 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.9 m -160.45 168.27 25.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.38 126.33 6.61 Favored Glycine 0 CA--C 1.489 -1.592 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -114.9 140.73 48.75 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.905 0.859 . . . . 0.0 110.96 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.645 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 54.2 m -100.21 115.65 30.38 Favored 'General case' 0 C--N 1.283 -2.304 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.897 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.588 ' HG3' ' CE3' ' A' ' 42' ' ' TRP . 17.8 mmm180 -74.31 169.62 17.26 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.671 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -74.22 -9.43 58.61 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.137 0.97 . . . . 0.0 109.673 173.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -82.92 -8.19 59.59 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.185 -1.37 . . . . 0.0 107.857 174.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 68.87 3.94 4.22 Favored 'General case' 0 C--O 1.219 -0.519 0 C-N-CA 126.184 1.794 . . . . 0.0 113.624 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -92.71 156.7 16.87 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 55.6 m -91.48 118.49 30.61 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -111.14 112.66 24.61 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 173.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.6 m -108.18 133.93 51.75 Favored 'General case' 0 C--N 1.273 -2.751 0 CA-C-O 121.315 0.579 . . . . 0.0 110.878 -174.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 m -79.6 117.85 20.9 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 115.189 -0.914 . . . . 0.0 108.696 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 0.1 OUTLIER -109.89 161.29 15.62 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.294 -175.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -99.89 121.79 41.86 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.641 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.281 -2.405 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.075 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt . . . . . 0 CA--C 1.507 -0.682 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -120.05 123.92 44.61 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-O 121.18 0.514 . . . . 0.0 109.798 174.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 p -115.47 172.03 7.35 Favored 'General case' 0 C--N 1.267 -3.018 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.992 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 125.63 16.84 Favored 'General case' 0 N--CA 1.425 -1.717 0 C-N-CA 119.842 -0.743 . . . . 0.0 110.45 -177.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -134.07 164.59 27.0 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD22 ' HG3' ' A' ' 40' ' ' ARG . 46.7 mt -61.71 138.73 58.34 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 123.513 0.508 . . . . 0.0 112.22 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.38 132.76 53.67 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -86.59 -50.69 6.64 Favored 'General case' 0 C--N 1.309 -1.167 0 O-C-N 123.421 0.451 . . . . 0.0 111.732 -172.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . 0.253 71.0 p -92.44 -14.93 27.83 Favored 'General case' 0 N--CA 1.433 -1.304 0 C-N-CA 118.175 -1.41 . . . . 0.0 113.273 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 46.7 t80 -83.95 92.95 7.94 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 175.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -99.97 115.43 29.66 Favored 'General case' 0 C--N 1.292 -1.9 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.033 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.08 176.62 14.62 Favored Glycine 0 N--CA 1.419 -2.441 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -78.23 159.85 29.7 Favored 'Trans proline' 0 N--CA 1.442 -1.503 0 C-N-CA 122.627 2.218 . . . . 0.0 111.984 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 44.3 t -94.89 114.12 25.93 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.237 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -100.81 -31.64 11.07 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.9 m -133.71 113.66 12.58 Favored 'General case' 0 N--CA 1.429 -1.494 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.458 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 13.2 t -64.83 -27.83 69.14 Favored 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.492 -174.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.89 -31.96 82.55 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.4 t -72.93 -42.54 63.37 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -63.24 -48.68 77.22 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.72 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.14 -46.06 89.33 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.856 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.79 -50.32 74.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.618 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 17.6 t60 -61.85 -44.31 97.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.699 -179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 95.6 m -65.86 -28.2 68.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 90.3 mttt -80.25 -49.35 11.72 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.037 0.446 . . . . 0.0 110.921 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -77.66 -49.22 14.96 Favored 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -90.03 -50.08 6.22 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 121.205 0.526 . . . . 0.0 110.997 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.9 mm-40 -79.15 -16.22 56.95 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.689 -175.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.403 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.9 m80 55.93 40.62 30.47 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.846 0.832 . . . . 0.0 112.527 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 45' ' ' LYS . 48.6 mt -103.31 -178.2 3.59 Favored 'General case' 0 N--CA 1.418 -2.056 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.09 -43.18 29.81 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 t -163.66 165.07 23.7 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.03 122.48 4.84 Favored Glycine 0 N--CA 1.438 -1.178 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.1 mtm180 -117.88 145.42 44.64 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.312 0.577 . . . . 0.0 109.882 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.6 m -109.39 121.18 44.61 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -85.99 -179.61 6.81 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -75.0 -2.91 29.39 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.735 0.779 . . . . 0.0 110.544 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.06 -10.04 57.32 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 72.58 -0.44 3.31 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 126.078 1.751 . . . . 0.0 113.309 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 6' ' ' LEU . 9.1 tpt180 -93.67 152.9 18.67 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 62.0 m -79.35 118.11 20.96 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -110.14 109.6 20.17 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 106.089 -1.819 . . . . 0.0 106.089 171.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -106.2 137.55 43.95 Favored 'General case' 0 C--N 1.276 -2.595 0 CA-C-O 121.372 0.606 . . . . 0.0 111.447 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 m -78.88 126.81 31.2 Favored 'General case' 0 N--CA 1.423 -1.802 0 CA-C-N 114.696 -1.138 . . . . 0.0 108.9 -175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 30' ' ' LEU . 19.2 ptmt -125.13 147.79 48.86 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.536 -176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -84.69 123.74 30.71 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.993 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.285 -2.226 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--O 1.216 -0.691 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -105.63 132.67 51.49 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 170.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.8 p -144.63 145.1 31.6 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.09 0.471 . . . . 0.0 110.473 -175.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.615 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 24.1 tt0 -89.63 110.47 21.34 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -133.85 150.19 51.38 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.054 -172.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.9 mt -46.53 135.78 8.18 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.62 127.75 32.83 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.74 177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -84.9 -50.41 7.54 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.662 -173.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.6 m -81.43 -31.5 33.08 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.607 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 40.0 t80 -80.73 94.65 6.42 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 177.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -96.12 16.76 17.2 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.38 0.61 . . . . 0.0 112.552 -174.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.67 173.9 15.0 Favored Glycine 0 C--N 1.28 -2.539 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.395 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -75.45 157.74 40.74 Favored 'Trans proline' 0 C--O 1.253 1.241 0 C-N-CA 122.614 2.209 . . . . 0.0 110.782 172.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.0 t -100.89 132.53 46.25 Favored 'General case' 0 C--N 1.282 -2.368 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.667 179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -100.81 -61.72 1.33 Allowed 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.8 m -98.96 123.75 43.46 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.737 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 85.3 m -54.52 -42.2 70.56 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.897 0.38 . . . . 0.0 111.809 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.68 -22.61 66.29 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.818 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -77.78 -40.37 41.0 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 120.875 0.369 . . . . 0.0 110.094 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.2 t -77.08 -34.96 56.94 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -58.95 -45.82 89.54 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -58.99 -41.02 86.61 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.323 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 23.0 t60 -67.02 -47.97 69.79 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 178.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 94.8 m -67.02 -27.24 67.25 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.0 mmtt -72.74 -53.07 12.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.126 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -81.87 -51.63 7.91 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -171.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.73 -48.11 9.13 Favored 'General case' 0 C--N 1.312 -1.063 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.013 -175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 6.5 mm-40 -79.96 -20.58 45.23 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.417 -177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 76.0 m80 61.02 31.92 19.88 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.675 0.79 . . . . 0.0 110.915 179.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 44' ' ' THR . 78.9 mt -90.65 177.05 6.45 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.913 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -65.88 -42.01 90.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.193 0.308 . . . . 0.0 110.841 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -172.72 176.02 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.036 0.534 . . . . 0.0 110.128 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -135.39 130.23 5.33 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.615 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 56.9 mtp180 -120.48 137.02 54.58 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.929 0.871 . . . . 0.0 111.967 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.737 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.2 m -100.46 105.44 16.91 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.859 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -73.37 175.76 6.64 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.336 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.17 -23.21 67.33 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 121.897 0.856 . . . . 0.0 110.374 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.61 -15.39 63.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.199 -1.364 . . . . 0.0 111.173 178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 73.87 -0.4 3.37 Favored 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 126.044 1.738 . . . . 0.0 111.153 -175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -94.01 148.48 22.12 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 98.1 m -90.52 120.34 31.54 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.6 m-90 -108.25 108.62 19.72 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.9 m -105.73 146.85 29.26 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.416 0.627 . . . . 0.0 111.525 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 2.4 m -78.97 108.52 12.5 Favored 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.175 -175.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.9 ptpt -127.65 175.22 8.45 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-O 120.962 0.411 . . . . 0.0 111.003 -176.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.61 137.61 36.26 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.37 -0.832 . . . . 0.0 108.982 177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.279 -2.487 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.642 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp . . . . . 0 CA--C 1.497 -1.095 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 p -91.88 127.76 37.46 Favored 'General case' 0 N--CA 1.411 -2.385 0 CA-C-O 121.68 0.753 . . . . 0.0 112.102 176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.621 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 6.8 p -111.03 114.55 27.93 Favored 'General case' 0 C--N 1.275 -2.657 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.48 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 11.1 tt0 -90.17 110.24 21.28 Favored 'General case' 0 C--N 1.292 -1.934 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -128.94 148.49 50.94 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.976 -168.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.9 mt -55.64 140.5 41.04 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.89 104.53 16.59 Favored 'General case' 0 C--N 1.292 -1.891 0 CA-C-N 114.427 -1.261 . . . . 0.0 108.355 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -80.52 -26.85 37.87 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.572 0.701 . . . . 0.0 109.445 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -38.5 79.02 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.264 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -87.03 79.76 8.6 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 172.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -85.0 108.48 17.62 Favored 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.848 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.38 158.72 8.48 Favored Glycine 0 N--CA 1.416 -2.674 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -74.19 158.22 45.43 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 122.27 1.98 . . . . 0.0 111.18 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.8 t -83.08 98.53 9.35 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -87.97 -33.74 18.31 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.431 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 27.4 m -131.41 121.52 24.73 Favored 'General case' 0 N--CA 1.425 -1.69 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.507 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 27.8 m -65.36 -35.44 80.97 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -47.6 73.78 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.948 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 11.9 p -71.51 -34.57 70.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 117.2 0.5 . . . . 0.0 111.619 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.0 t -62.68 -50.84 69.55 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.403 0.621 . . . . 0.0 109.632 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -62.26 -45.36 93.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.689 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -60.45 -44.16 96.12 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.637 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -62.36 -51.13 68.84 Favored 'General case' 0 C--O 1.242 0.666 0 CA-C-O 120.818 0.342 . . . . 0.0 110.137 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -64.36 -29.67 70.74 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 62.4 mtpt -80.53 -43.35 20.87 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -89.93 -40.97 12.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -90.11 -50.28 6.09 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.205 -177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HB3' ' HG ' ' A' ' 30' ' ' LEU . 22.2 mm-40 -78.77 -19.81 51.35 Favored 'General case' 0 C--N 1.308 -1.199 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.945 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 m80 63.01 30.05 16.36 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.097 0.959 . . . . 0.0 111.47 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 28' ' ' GLU . 68.4 mt -88.74 179.12 6.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.548 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -71.6 -44.85 63.7 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t -164.42 165.36 21.58 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.84 122.95 4.89 Favored Glycine 0 CA--C 1.497 -1.042 0 N-CA-C 108.682 -1.767 . . . . 0.0 108.682 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.04 136.01 53.98 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.92 0.867 . . . . 0.0 112.725 -172.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 56.1 m -93.8 113.55 25.62 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.823 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 14.5 mmt85 -87.46 177.25 7.15 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.797 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -48.07 -37.12 14.4 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.592 1.557 . . . . 0.0 113.593 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -84.82 8.36 17.58 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 67.83 18.57 9.67 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.808 0.843 . . . . 0.0 111.963 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -93.6 152.69 18.85 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.622 175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.84 105.16 17.5 Favored 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.799 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.48 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -101.68 103.66 14.46 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 173.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -95.5 141.33 29.16 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-O 121.341 0.591 . . . . 0.0 111.02 -175.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -79.34 109.0 13.29 Favored 'General case' 0 N--CA 1.42 -1.93 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.171 -175.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.621 ' HG3' ' SG ' ' A' ' 3' ' ' CYS . 18.2 ptpt -118.36 171.86 7.85 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.476 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -100.61 125.37 46.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-O 120.983 0.421 . . . . 0.0 111.45 -176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.289 -2.065 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 174.622 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 CA--C 1.497 -1.07 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 p -122.22 146.84 46.88 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.163 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.1 m -125.74 125.38 42.89 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.481 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.9 tt0 -89.94 109.32 20.35 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -134.83 150.09 50.44 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.2 mt -60.63 137.91 58.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.13 139.34 50.23 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.578 -1.192 . . . . 0.0 108.683 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -100.32 -47.65 4.86 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.713 -174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -75.82 -20.68 57.99 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.002 -177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -74.0 128.04 34.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -115.92 139.39 50.28 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.615 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.41 -176.91 34.41 Favored Glycine 0 N--CA 1.428 -1.873 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.754 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.88 166.91 13.03 Favored 'Trans proline' 0 N--CA 1.442 -1.521 0 C-N-CA 122.705 2.27 . . . . 0.0 110.965 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 37.1 t -86.96 106.41 17.79 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.084 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -90.84 -55.61 3.49 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 m -108.49 110.84 22.44 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 11.8 t -62.32 -31.55 72.18 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.477 -176.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.4 -39.81 97.24 Favored Glycine 0 N--CA 1.435 -1.405 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -69.89 -38.57 76.38 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.4 t -61.44 -47.57 85.14 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.457 0.646 . . . . 0.0 109.447 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.91 -46.48 87.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.005 -0.998 . . . . 0.0 110.55 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -62.46 -42.86 99.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.158 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -63.01 -45.27 93.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 28' ' ' GLU . 87.6 m -68.03 -30.22 69.39 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -74.21 -41.17 61.81 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 120.868 0.365 . . . . 0.0 111.307 175.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -86.2 -60.13 2.09 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -81.13 -44.81 17.36 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 120.742 0.306 . . . . 0.0 111.555 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 24' ' ' CYS . 4.9 mm-40 -79.09 -15.62 57.92 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.953 -0.699 . . . . 0.0 111.124 -177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 58.91 30.01 19.62 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.87 0.868 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -94.34 -172.09 2.69 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.686 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 33.6 ttt180 -84.72 -43.94 13.84 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 120.572 0.225 . . . . 0.0 110.626 -174.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.9 p -161.94 174.69 12.74 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.79 128.17 4.33 Favored Glycine 0 N--CA 1.435 -1.407 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -131.63 149.55 52.46 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.658 0.742 . . . . 0.0 110.606 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.4 m -111.48 121.01 44.07 Favored 'General case' 0 C--N 1.282 -2.339 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.157 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -85.69 175.35 8.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.989 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.53 -15.22 60.56 Favored 'General case' 0 N--CA 1.493 1.719 0 CA-C-O 122.138 0.971 . . . . 0.0 111.096 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.03 -17.14 64.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.405 -1.271 . . . . 0.0 110.606 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 69.88 15.38 7.88 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.234 1.414 . . . . 0.0 111.165 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -105.44 147.13 28.6 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.4 m -82.11 114.17 20.47 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.419 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -105.91 113.43 26.98 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 174.18 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.9 m -109.57 140.19 43.67 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-O 121.613 0.721 . . . . 0.0 111.432 -175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -79.86 116.19 19.87 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.476 -174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -109.51 148.62 30.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.573 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 92.5 m-20 -83.6 126.99 33.41 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.011 0.434 . . . . 0.0 111.089 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 C--O 1.266 1.938 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.264 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--O 1.216 -0.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.419 ' HB ' ' CG2' ' A' ' 44' ' ' THR . 25.2 p -104.19 151.49 23.29 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 118.66 0.663 . . . . 0.0 112.661 178.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 p -140.18 149.08 42.51 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -112.67 127.25 56.06 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -142.59 160.47 40.23 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -176.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.0 mt -56.6 137.87 53.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.98 131.59 46.18 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.524 175.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -84.68 -50.34 7.73 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.8 m -75.8 -24.83 55.95 Favored 'General case' 0 N--CA 1.431 -1.393 0 O-C-N 121.823 -0.548 . . . . 0.0 110.823 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 30.2 t80 -82.92 80.02 9.11 Favored 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 121.907 0.86 . . . . 0.0 109.502 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -90.48 108.62 19.9 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 173.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.36 172.25 21.39 Favored Glycine 0 N--CA 1.416 -2.634 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.72 153.29 13.32 Favored 'Trans proline' 0 N--CA 1.435 -1.953 0 C-N-CA 122.657 2.238 . . . . 0.0 110.858 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 t -89.02 114.32 25.51 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.698 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.6 -39.09 8.06 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HB ' ' OG ' ' A' ' 19' ' ' SER . 6.8 m -120.81 111.47 17.61 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 8.8 t -59.51 -33.74 71.73 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -177.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.42 -35.64 92.32 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.404 ' OG ' ' HB ' ' A' ' 16' ' ' THR . 19.8 m -65.96 -42.61 89.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.265 0.555 . . . . 0.0 109.588 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.18 -49.12 75.52 Favored 'General case' 0 C--O 1.248 1.025 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.189 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -62.09 -37.93 86.91 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -65.23 -51.02 63.58 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.505 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 41.7 t60 -59.75 -51.35 70.15 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 124.046 0.841 . . . . 0.0 110.888 -177.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 90.4 m -63.42 -45.25 91.84 Favored 'General case' 0 C--O 1.213 -0.835 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -78.69 -35.58 44.84 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -90.62 -60.68 1.85 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -76.26 -44.07 38.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.862 0.363 . . . . 0.0 111.385 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 5.9 mm-40 -79.05 -13.14 59.95 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.759 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.3 m80 57.16 43.55 23.8 Favored 'General case' 0 CA--C 1.512 -0.505 0 C-N-CA 123.872 0.869 . . . . 0.0 112.737 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD22 ' CB ' ' A' ' 45' ' ' LYS . 51.5 mt -101.23 -177.17 3.37 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -80.55 -49.26 11.57 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -154.69 162.38 41.15 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.45 130.66 4.68 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.44 153.35 50.13 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.808 0.813 . . . . 0.0 111.208 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.4 m -94.81 130.01 41.55 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.356 -177.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -104.61 -178.57 3.69 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.163 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.32 -44.94 11.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 125.847 1.659 . . . . 0.0 112.919 -175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -79.06 6.39 9.56 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.002 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 68.78 12.38 8.64 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 124.539 1.135 . . . . 0.0 111.756 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -98.22 154.08 18.03 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.9 m -88.04 118.08 27.35 Favored 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -103.17 115.93 31.51 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 171.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.9 m -120.32 136.7 54.6 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-O 121.414 0.626 . . . . 0.0 111.343 -172.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.419 ' CG2' ' HB ' ' A' ' 2' ' ' THR . 24.9 m -79.9 123.96 28.24 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.131 -177.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' CB ' HD22 ' A' ' 30' ' ' LEU . 18.6 ptmt -122.34 159.05 28.27 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.174 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -92.96 127.45 38.48 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-O 121.171 0.51 . . . . 0.0 111.01 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.292 -1.928 0 C-N-CA 124.424 1.089 . . . . 0.0 108.865 -179.665 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 tttp . . . . . 0 C--O 1.213 -0.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.443 HG21 HH11 ' A' ' 31' ' ' ARG . 24.5 p -79.97 123.82 28.14 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 118.989 -1.084 . . . . 0.0 112.079 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.2 m -87.74 148.0 24.94 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.077 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' OE1' ' HD2' ' A' ' 34' ' ' ARG . 28.4 tt0 -116.68 109.68 17.49 Favored 'General case' 0 N--CA 1.422 -1.869 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -126.85 136.98 53.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.299 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.02 136.05 57.9 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -80.53 112.66 18.1 Favored 'General case' 0 N--CA 1.426 -1.659 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.232 176.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -72.4 -32.85 66.73 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -69.05 -29.02 67.07 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.271 -177.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.44 ' OH ' ' HA ' ' A' ' 14' ' ' CYS . 35.9 t80 -85.88 83.15 7.89 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -92.69 88.72 6.37 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.1 -177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.47 171.98 26.02 Favored Glycine 0 N--CA 1.424 -2.16 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.59 150.91 22.04 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.725 2.284 . . . . 0.0 111.39 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' HA ' ' OH ' ' A' ' 10' ' ' TYR . 41.3 t -76.14 108.61 9.18 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.036 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -97.63 -27.6 14.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.581 0.705 . . . . 0.0 109.656 177.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 m -140.17 121.78 15.25 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.3 t -67.82 -31.02 70.59 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 120.722 0.296 . . . . 0.0 110.789 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.78 -36.56 93.51 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 m -70.16 -30.41 67.54 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-O 121.073 0.464 . . . . 0.0 109.819 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.3 t -72.14 -46.14 57.71 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -56.54 -51.28 69.17 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.714 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.69 -42.23 92.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.369 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.46 -55.68 28.51 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.639 0.776 . . . . 0.0 110.406 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.71 -29.51 70.15 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.035 0.445 . . . . 0.0 111.972 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 48.0 mtpt -80.13 -48.83 12.59 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -91.03 -33.61 15.45 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -87.82 -51.16 6.0 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.079 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -85.52 -14.74 45.0 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.636 -177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.502 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 40.3 m80 63.49 34.6 12.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.051 0.941 . . . . 0.0 111.53 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 87.9 mt -103.95 -179.92 4.09 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.28 -177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.443 HH11 HG21 ' A' ' 2' ' ' THR . 68.5 ttt180 -57.64 -52.31 65.94 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.594 0.758 . . . . 0.0 111.905 -178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.4 t -169.37 -174.54 1.98 Allowed 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.53 161.12 26.58 Favored Glycine 0 N--CA 1.43 -1.758 0 N-CA-C 108.852 -1.699 . . . . 0.0 108.852 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HD2' ' OE1' ' A' ' 4' ' ' GLU . 5.1 ptp180 -155.66 147.48 23.2 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 117.305 0.553 . . . . 0.0 110.576 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.0 m -104.06 113.26 26.68 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HB2' ' CZ3' ' A' ' 42' ' ' TRP . 38.7 mmt180 -84.44 -179.27 7.13 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.623 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.46 -20.54 31.38 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.259 1.024 . . . . 0.0 113.319 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -87.24 13.94 8.72 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.255 -0.278 . . . . 0.0 111.478 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 50.1 27.39 2.51 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.922 1.689 . . . . 0.0 114.221 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -115.87 165.64 12.86 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 106.633 -1.618 . . . . 0.0 106.633 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.8 m -95.57 122.75 38.65 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' CZ3' ' HB2' ' A' ' 36' ' ' ARG . 5.3 m-90 -106.71 118.92 37.93 Favored 'General case' 0 N--CA 1.417 -2.086 0 CA-C-N 114.029 -1.441 . . . . 0.0 107.131 172.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 80.7 m -87.53 138.7 31.24 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 m -95.58 120.53 36.0 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 19.5 ptmt -132.83 148.51 52.31 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.303 -177.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.45 137.13 38.5 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 120.826 0.345 . . . . 0.0 111.014 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 C--N 1.291 -1.969 0 N-CA-C 106.188 -1.782 . . . . 0.0 106.188 174.35 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp . . . . . 0 CA--C 1.502 -0.893 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.4 p -79.69 150.81 30.78 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-O 121.196 0.522 . . . . 0.0 110.906 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -120.49 144.17 48.15 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.86 124.8 11.99 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.812 -0.755 . . . . 0.0 110.786 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -138.12 165.98 25.27 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.07 143.8 57.46 Favored 'General case' 0 C--O 1.244 0.778 0 CA-C-O 121.439 0.638 . . . . 0.0 111.638 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.85 124.36 27.19 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.787 175.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -100.18 -37.45 8.93 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 121.095 0.474 . . . . 0.0 110.065 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -68.98 -35.25 76.51 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.554 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -73.48 121.28 20.32 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -112.43 121.85 46.04 Favored 'General case' 0 C--N 1.288 -2.069 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.212 -175.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.94 165.91 13.08 Favored Glycine 0 N--CA 1.431 -1.658 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.949 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.08 141.4 20.87 Favored 'Trans proline' 0 C--O 1.245 0.865 0 C-N-CA 122.435 2.09 . . . . 0.0 111.071 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 44.6 t -94.18 117.5 30.21 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 120.948 0.404 . . . . 0.0 110.586 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -95.97 -46.29 6.58 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.0 m -109.91 109.32 19.91 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.688 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 15.0 t -57.9 -33.59 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -174.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.89 -30.49 77.4 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.884 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -73.01 -37.55 66.9 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.974 0.416 . . . . 0.0 110.136 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.5 t -79.31 -32.05 43.35 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.5 t70 -57.94 -45.04 87.23 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -59.15 -46.48 88.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.532 177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -59.99 -53.88 52.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.7 m -63.24 -31.22 72.32 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 44.7 mtmt -80.14 -35.29 36.86 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.948 -0.47 . . . . 0.0 111.314 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -90.08 -60.15 2.01 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -67.64 -50.09 59.7 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.556 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -90.49 -10.92 41.85 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 61.28 29.79 18.83 Favored 'General case' 0 CA--C 1.557 1.226 0 CA-C-O 122.215 1.007 . . . . 0.0 110.421 177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 45' ' ' LYS . 72.5 mt -87.66 -172.58 3.94 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.67 -0.644 . . . . 0.0 109.819 -178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 22.9 ttt180 -75.27 -51.42 13.32 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.9 p -168.55 176.16 5.85 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.86 141.99 13.37 Favored Glycine 0 N--CA 1.428 -1.898 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -140.09 120.09 13.62 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 122.079 0.942 . . . . 0.0 111.583 177.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 34.8 m -87.71 123.28 32.37 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 114.354 -1.294 . . . . 0.0 108.746 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -74.24 174.19 9.12 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.137 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.6 -19.25 65.84 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.293 0.568 . . . . 0.0 111.044 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.75 7.04 9.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.117 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 70.16 17.13 7.29 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.176 0.991 . . . . 0.0 112.05 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -101.14 133.36 45.8 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 66.9 m -80.03 108.3 13.5 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.693 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.25 115.26 29.96 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 170.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.6 m -107.0 123.66 48.51 Favored 'General case' 0 C--N 1.288 -2.077 0 CA-C-O 121.923 0.868 . . . . 0.0 112.603 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -79.82 136.71 36.78 Favored 'General case' 0 N--CA 1.42 -1.954 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.285 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 30' ' ' LEU . 25.0 pttm -135.61 164.92 26.75 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 174.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.533 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 94.5 m-20 -99.19 140.89 32.68 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.294 -1.811 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.002 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.21 -0.984 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.3 p -103.1 130.88 50.39 Favored 'General case' 0 N--CA 1.418 -2.04 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.331 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.14 145.3 27.33 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -148.88 116.31 6.17 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -173.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -135.02 164.94 26.5 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.865 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.1 mt -71.28 139.45 49.98 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-O 121.716 0.769 . . . . 0.0 112.42 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.03 103.9 15.81 Favored 'General case' 0 N--CA 1.418 -2.057 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.972 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -80.36 -18.89 47.72 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m -76.42 -20.44 57.09 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.89 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -83.19 121.41 27.04 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -102.56 111.66 24.07 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.112 -174.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.65 169.75 17.83 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.465 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.52 144.54 14.26 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.644 2.229 . . . . 0.0 109.837 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.64 124.32 32.79 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 119.886 -0.726 . . . . 0.0 111.245 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -107.39 -42.26 4.86 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.384 175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -112.46 120.07 40.38 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.1 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.529 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 32.9 m -54.93 -40.08 69.52 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.097 0.559 . . . . 0.0 111.658 -176.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.85 -36.93 56.53 Favored Glycine 0 C--N 1.336 0.562 0 O-C-N 123.252 0.345 . . . . 0.0 113.72 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 m -66.0 -34.18 77.5 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.597 0.713 . . . . 0.0 110.317 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.8 t -87.56 -38.55 15.88 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.86 0.838 . . . . 0.0 109.772 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -59.98 -44.82 94.24 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.756 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -62.53 -41.1 98.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.763 178.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -62.02 -60.44 3.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.424 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.5 m -69.64 -24.45 63.63 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 115.174 1.546 . . . . 0.0 115.174 -175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 43.4 mtmt -80.24 -40.95 26.01 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.41 -0.916 . . . . 0.0 110.807 177.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -90.08 -50.16 6.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -75.68 -50.74 14.5 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.182 0.515 . . . . 0.0 110.323 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -86.63 -15.31 40.13 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.568 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 t-80 60.08 39.33 19.84 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 122.408 1.099 . . . . 0.0 110.979 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -98.24 -174.8 2.94 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.104 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -70.3 -54.59 11.97 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.1 m -159.26 166.71 30.72 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -126.2 121.65 4.16 Favored Glycine 0 C--N 1.308 -0.996 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -122.81 144.78 48.96 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.893 0.854 . . . . 0.0 111.919 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 23.4 m -107.46 131.56 54.16 Favored 'General case' 0 C--N 1.285 -2.223 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.166 -176.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -103.15 173.95 6.08 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.827 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -66.33 -13.1 60.03 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -71.39 -12.52 61.46 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.734 1.214 . . . . 0.0 109.86 177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 77.12 4.6 3.27 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.917 1.687 . . . . 0.0 110.948 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -95.23 152.49 18.32 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.734 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 m -93.75 115.9 28.36 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.715 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -104.41 116.34 31.96 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 76.8 m -102.3 126.77 49.4 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-O 121.572 0.701 . . . . 0.0 110.514 -177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.3 m -95.82 135.07 38.02 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.477 -1.238 . . . . 0.0 109.711 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -133.92 155.31 50.14 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.39 139.2 30.75 Favored 'General case' 0 C--N 1.302 -1.49 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.945 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.304 -1.409 0 C-N-CA 123.415 0.686 . . . . 0.0 109.255 -178.228 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 2' ' ' THR . 38.0 ttmt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 HG21 ' HD2' ' A' ' 31' ' ' ARG . 9.8 p -117.19 123.17 46.03 Favored 'General case' 0 N--CA 1.417 -2.124 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.256 169.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.1 m -106.76 123.19 47.78 Favored 'General case' 0 C--N 1.289 -2.042 0 CA-C-N 114.987 -1.006 . . . . 0.0 108.676 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 35.5 tt0 -96.42 119.41 34.86 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.48 164.46 27.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.14 140.2 57.94 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.48 122.35 26.34 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 114.167 -1.379 . . . . 0.0 109.483 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -96.46 -38.1 10.16 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.211 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.8 m -75.73 -30.73 59.33 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.364 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.31 127.56 33.0 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -108.43 146.16 33.51 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 120.962 0.41 . . . . 0.0 110.494 -177.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.63 162.34 36.04 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -73.65 166.43 29.8 Favored 'Trans proline' 0 C--O 1.244 0.807 0 C-N-CA 122.297 1.998 . . . . 0.0 110.918 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -87.78 100.87 13.17 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.168 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -90.7 -31.91 16.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.3 m -132.59 119.41 20.45 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.3 t -68.22 -24.78 64.97 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.13 -46.59 93.55 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.9 m -62.29 -35.07 77.87 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.501 0.667 . . . . 0.0 110.457 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.2 t -74.21 -48.1 31.14 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.463 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' HA ' ' HA3' ' A' ' 33' ' ' GLY . 33.7 t70 -64.3 -39.9 94.86 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.808 -179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.17 -42.08 89.92 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.685 177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -66.65 -54.61 21.37 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.531 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.5 m -59.56 -39.46 84.13 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.173 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 67.7 mttm -70.98 -60.1 2.42 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -82.04 -44.9 16.01 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -76.05 -50.57 14.41 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 121.062 0.458 . . . . 0.0 111.463 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.67 -6.86 42.34 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.434 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 83.4 m-70 63.94 28.9 14.54 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 123.9 0.88 . . . . 0.0 112.394 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HB3' ' A' ' 45' ' ' LYS . 43.0 mt -94.93 -175.2 3.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.6 ttt180 -78.85 -59.16 2.89 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -174.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -150.2 158.79 44.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.137 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 21' ' ' ASP . . . -113.88 104.96 1.53 Allowed Glycine 0 CA--C 1.484 -1.849 0 N-CA-C 108.834 -1.706 . . . . 0.0 108.834 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -108.81 132.46 53.98 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 -174.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.1 m -96.4 132.04 42.33 Favored 'General case' 0 C--N 1.286 -2.159 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.101 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -107.1 -179.44 3.93 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.073 -175.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -52.79 -37.7 60.14 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.949 1.3 . . . . 0.0 113.654 -175.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -79.55 7.38 8.35 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-O 121.362 0.601 . . . . 0.0 111.481 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 65.85 6.27 3.88 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.835 1.254 . . . . 0.0 113.978 176.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -91.1 159.77 15.93 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.4 m -90.88 129.12 36.95 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.2 m-90 -115.88 109.34 17.48 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 114.465 -1.243 . . . . 0.0 108.292 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.3 m -87.7 123.87 32.97 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 2.0 m -80.43 109.8 15.28 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.433 ' HB3' HD13 ' A' ' 30' ' ' LEU . 21.8 pttp -115.47 166.33 12.01 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -82.94 133.1 35.13 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 121.286 0.565 . . . . 0.0 111.519 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.286 -2.176 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.1 tptt . . . . . 0 C--O 1.199 -1.582 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.463 HG21 ' HD2' ' A' ' 31' ' ' ARG . 3.1 p -98.2 136.26 38.66 Favored 'General case' 0 N--CA 1.42 -1.931 0 C-N-CA 119.498 -0.881 . . . . 0.0 110.493 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.4 m -116.04 137.0 52.51 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' CG ' ' HB3' ' A' ' 42' ' ' TRP . 35.7 tt0 -94.92 109.95 21.89 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 m120 -137.18 163.75 30.12 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.647 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' CG ' ' A' ' 40' ' ' ARG . 60.6 mt -64.74 137.3 57.72 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 113.755 1.021 . . . . 0.0 113.755 -178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.73 128.68 33.91 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.649 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 30.9 t70 -90.47 -39.34 12.67 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 m -69.54 -31.88 70.35 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 120.993 0.425 . . . . 0.0 110.91 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -80.45 87.22 5.69 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 48.7 mtmt -101.72 96.4 7.06 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.585 0.707 . . . . 0.0 110.878 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.77 177.96 33.33 Favored Glycine 0 N--CA 1.419 -2.435 0 N-CA-C 109.109 -1.596 . . . . 0.0 109.109 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HG2' ' CE1' ' A' ' 15' ' ' PHE . 59.1 Cg_endo -85.73 146.73 9.4 Favored 'Trans proline' 0 N--CA 1.431 -2.157 0 C-N-CA 121.81 1.673 . . . . 0.0 111.649 178.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.5 t -73.7 108.9 6.81 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.621 176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 13' ' ' PRO . 48.4 m-85 -87.55 -46.02 9.94 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 46.1 m -125.98 127.23 45.61 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.5 m -64.36 -32.37 73.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.504 0.193 . . . . 0.0 111.25 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.45 -42.37 93.81 Favored Glycine 0 N--CA 1.445 -0.759 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.248 178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 m -65.98 -35.2 79.93 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.243 0.617 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.5 t -69.93 -49.02 56.07 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.395 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.46 -46.92 80.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.619 -1.173 . . . . 0.0 109.57 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.7 -48.41 81.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.558 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -60.47 -54.55 44.15 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 122.639 0.376 . . . . 0.0 111.365 -178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.4 m -65.97 -29.84 70.29 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 46.3 mtpt -80.58 -42.31 22.53 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -89.31 -40.87 12.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -174.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -89.9 -50.42 6.04 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.174 -178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -83.66 -16.87 43.44 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.045 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 78.5 m80 64.35 26.62 13.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.141 0.977 . . . . 0.0 112.811 178.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.3 mt -84.75 -172.94 4.45 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 122.927 0.491 . . . . 0.0 110.78 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HD2' HG21 ' A' ' 2' ' ' THR . 77.9 ttt180 -72.07 -49.9 32.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.549 0.214 . . . . 0.0 110.861 -178.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.2 p -168.61 173.16 7.56 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.94 126.16 6.36 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -115.52 135.97 53.55 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 60.2 m -99.3 126.48 45.15 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -109.8 170.67 7.92 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.67 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -50.09 -33.39 18.41 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.931 1.292 . . . . 0.0 113.712 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -73.56 3.23 6.48 Favored 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 70.6 -0.76 2.81 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.55 1.54 . . . . 0.0 113.819 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CG ' HD22 ' A' ' 6' ' ' LEU . 9.3 tpt180 -96.75 158.0 15.63 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -86.42 122.43 30.36 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB3' ' CG ' ' A' ' 4' ' ' GLU . 2.0 m-90 -105.68 100.3 9.87 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 172.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.1 m -97.77 142.75 29.16 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.41 0.624 . . . . 0.0 110.9 -174.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 29.7 m -85.04 114.89 22.52 Favored 'General case' 0 N--CA 1.42 -1.955 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.553 -177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HE3' ' OD1' ' A' ' 5' ' ' ASN . 22.6 pttp -114.25 158.51 21.3 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.907 -178.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -89.31 126.25 35.44 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.236 0.541 . . . . 0.0 111.031 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.286 -2.16 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.491 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 C--O 1.207 -1.141 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 p -85.86 125.37 33.25 Favored 'General case' 0 C--N 1.29 -1.988 0 C-N-CA 119.384 -0.926 . . . . 0.0 110.472 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 p -111.1 129.42 55.93 Favored 'General case' 0 C--N 1.275 -2.655 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.062 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -106.32 111.4 23.97 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 -177.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -132.96 147.16 52.28 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.95 -175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.08 141.97 57.01 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -81.64 129.48 34.71 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.91 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -94.55 -36.85 11.65 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.9 m -71.89 -21.72 61.61 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.575 -177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -80.71 99.48 8.23 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -99.03 105.34 17.46 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.303 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.34 162.91 10.9 Favored Glycine 0 N--CA 1.434 -1.486 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.32 156.56 29.28 Favored 'Trans proline' 0 C--O 1.244 0.813 0 C-N-CA 122.523 2.148 . . . . 0.0 111.419 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 41.8 t -88.98 112.28 23.16 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.332 0.586 . . . . 0.0 111.498 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -104.52 -48.26 3.86 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 173.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -95.49 103.34 15.2 Favored 'General case' 0 N--CA 1.428 -1.541 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.512 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 5.0 m -58.96 -36.8 75.42 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 124.155 0.982 . . . . 0.0 109.984 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.92 -35.86 92.54 Favored Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.265 -0.879 . . . . 0.0 112.295 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.7 t -77.85 -28.79 50.22 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.3 t -71.87 -42.61 66.66 Favored 'General case' 0 C--O 1.239 0.518 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.35 -44.9 92.62 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.854 175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.55 -35.82 81.76 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.742 -1.117 . . . . 0.0 110.761 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.2 t60 -64.54 -55.09 22.78 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.481 0.712 . . . . 0.0 110.368 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.0 m -59.96 -36.98 78.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.487 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 94.7 mttt -67.08 -57.2 7.26 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.68 -60.66 2.23 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -65.26 -43.69 90.46 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.164 0.507 . . . . 0.0 112.249 -174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -95.17 -5.22 44.5 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 63.24 24.49 14.34 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 124.003 0.921 . . . . 0.0 111.777 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 64.5 mt -95.28 179.86 5.03 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 120.764 0.316 . . . . 0.0 111.447 -175.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' THR . 55.4 ttt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 0.0 112.457 -176.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.3 m -156.01 173.27 17.04 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 43' ' ' CYS . . . -134.19 133.6 6.95 Favored Glycine 0 CA--C 1.497 -1.081 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.1 mtt180 -121.42 145.3 48.06 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 121.195 0.521 . . . . 0.0 111.159 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 53.0 m -107.42 115.6 30.44 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -91.98 -179.41 5.28 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.596 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -49.48 -34.69 17.58 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.394 1.477 . . . . 0.0 113.38 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.73 -0.83 19.43 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 68.42 14.86 9.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.321 0.648 . . . . 0.0 109.714 -173.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -101.08 153.23 19.73 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -92.92 116.9 29.47 Favored 'General case' 0 C--N 1.307 -1.28 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -109.16 107.77 18.18 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.345 -1.298 . . . . 0.0 107.653 174.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m -78.79 139.87 38.32 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 49.5 m -110.05 118.61 36.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -125.42 171.09 10.74 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 -96.92 118.08 32.54 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.2 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.284 -2.279 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 176.561 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 CA--C 1.503 -0.828 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 p -117.9 139.21 51.45 Favored 'General case' 0 N--CA 1.42 -1.934 0 CA-C-O 120.869 0.366 . . . . 0.0 111.145 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 p -124.23 152.73 42.59 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 29.2 tt0 -126.08 138.29 53.69 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -146.08 152.84 39.96 Favored 'General case' 0 C--N 1.309 -1.191 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.95 148.74 34.11 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -90.49 117.97 29.6 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.385 -1.28 . . . . 0.0 108.211 173.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -77.35 -44.15 30.45 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 123.475 0.71 . . . . 0.0 112.248 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 m -73.98 -33.96 64.04 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.337 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -68.42 114.39 6.81 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -115.13 135.57 54.05 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.626 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.29 167.85 16.8 Favored Glycine 0 C--N 1.299 -1.491 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -83.75 144.21 11.0 Favored 'Trans proline' 0 N--CA 1.45 -1.08 0 C-N-CA 122.378 2.052 . . . . 0.0 111.052 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.6 t -72.22 112.38 8.25 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 121.264 0.554 . . . . 0.0 111.767 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -91.73 -66.58 0.92 Allowed 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.7 m -100.32 115.86 30.96 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -57.51 -34.1 68.73 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.58 -34.43 76.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 121.409 -0.424 . . . . 0.0 112.84 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -72.3 -35.3 68.62 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.377 0.608 . . . . 0.0 109.801 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.71 -41.57 68.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.519 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 25' ' ' LYS . 23.8 t70 -63.8 -37.16 86.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.215 176.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.88 -43.31 94.82 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.878 175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' O ' ' HB2' ' A' ' 27' ' ' LYS . 41.2 t60 -62.5 -47.8 82.36 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.772 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.77 -39.35 87.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE2' ' OD2' ' A' ' 21' ' ' ASP . 39.5 mttm -77.6 -53.72 7.24 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.546 . . . . 0.0 111.965 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.25 -38.84 21.67 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 23' ' ' HIS . 13.0 mptt -90.24 -50.79 5.78 Favored 'General case' 0 C--N 1.306 -1.306 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.362 -176.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -85.63 -12.53 51.16 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.7 m-70 63.76 29.29 14.87 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.86 0.864 . . . . 0.0 112.873 178.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.3 mt -97.85 -175.69 3.24 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.222 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -71.05 -55.46 8.21 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.9 t -156.14 171.43 20.17 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -176.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.5 142.07 13.24 Favored Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -131.26 150.19 52.25 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-O 121.546 0.689 . . . . 0.0 110.903 -179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 31.4 m -109.03 119.1 38.54 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -97.38 -178.8 4.28 Favored 'General case' 0 C--N 1.289 -2.063 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.587 -175.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.63 -13.52 32.7 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.466 1.107 . . . . 0.0 113.724 -174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -90.38 1.17 56.86 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 120.778 0.323 . . . . 0.0 110.341 175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 64.09 14.33 8.46 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.321 1.448 . . . . 0.0 113.238 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -100.77 162.39 12.94 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.1 m -89.81 126.5 35.71 Favored 'General case' 0 C--N 1.31 -1.143 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -117.55 116.88 27.98 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 113.974 -1.466 . . . . 0.0 108.129 177.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 81.8 m -92.19 133.71 35.54 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.096 0.474 . . . . 0.0 111.113 -176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 m -92.85 130.89 38.3 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 123.816 0.846 . . . . 0.0 108.999 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 59.3 pttt -137.56 166.06 24.81 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -86.66 127.13 34.92 Favored 'General case' 0 CA--C 1.484 -1.583 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.642 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 33.6 m . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 118.188 -0.91 . . . . 0.0 109.155 -173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt . . . . . 0 CA--C 1.498 -1.036 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -126.11 148.03 49.47 Favored 'General case' 0 N--CA 1.406 -2.65 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 55.6 m -114.4 134.09 55.24 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -178.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' HG2' ' CD1' ' A' ' 42' ' ' TRP . 40.9 tt0 -97.27 115.75 28.22 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.395 -177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -134.68 143.05 47.01 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 122.577 0.351 . . . . 0.0 110.427 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 41' ' ' CYS . 20.0 mt -59.33 138.2 57.72 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.81 103.25 15.46 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 172.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.97 -31.02 44.82 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-O 121.335 0.588 . . . . 0.0 110.546 -174.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.487 HG23 ' NE2' ' A' ' 23' ' ' HIS . 11.8 t -77.9 -8.93 58.76 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.52 -178.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -81.6 113.41 19.6 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -96.64 135.53 38.44 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.073 -177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.95 -172.65 28.44 Favored Glycine 0 N--CA 1.43 -1.713 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.672 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -86.28 166.11 9.48 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 123.133 2.556 . . . . 0.0 110.994 177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 t -77.26 109.59 11.27 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -77.69 -50.53 12.24 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 19' ' ' SER . 1.9 t -141.67 144.0 33.89 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -75.45 -13.76 60.4 Favored 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.96 -46.82 50.15 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.478 ' H ' HG23 ' A' ' 16' ' ' THR . 41.2 t -62.74 -42.74 99.81 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.45 -43.14 99.39 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.966 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.99 -43.0 99.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.047 178.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.7 -40.87 92.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.588 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' NE2' HG23 ' A' ' 9' ' ' THR . 24.1 t60 -60.16 -47.96 83.72 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.386 176.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.4 m -63.51 -41.91 98.49 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 29' ' ' HIS . 53.7 mttp -67.5 -45.05 76.94 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -91.12 -60.02 2.01 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -173.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 26.3 tptp -64.88 -50.05 68.09 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 123.087 0.555 . . . . 0.0 111.574 -176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -93.86 -13.74 26.88 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.316 -177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 35.5 t-80 53.19 63.75 2.11 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.857 1.263 . . . . 0.0 111.519 -177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.5 mt -121.29 -174.8 2.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.349 -1.296 . . . . 0.0 108.585 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -68.74 -56.82 6.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.453 0.644 . . . . 0.0 111.459 -175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -158.68 -177.29 6.42 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.166 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.83 135.23 5.98 Favored Glycine 0 N--CA 1.437 -1.285 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -136.46 119.93 16.99 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.155 0.502 . . . . 0.0 109.912 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m -71.0 140.64 50.89 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.146 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -107.11 -178.66 3.71 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.486 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -57.68 -27.64 63.08 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.468 1.107 . . . . 0.0 112.905 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -71.55 -4.83 29.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.803 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 67.22 14.41 9.73 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.349 1.059 . . . . 0.0 112.089 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -106.02 164.76 11.71 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.3 m -88.73 122.93 32.66 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 4' ' ' GLU . 3.6 m-90 -113.39 126.09 54.97 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.257 173.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 78.0 m -98.31 146.28 25.83 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-O 121.094 0.473 . . . . 0.0 110.217 -179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.0 m -95.51 113.42 25.08 Favored 'General case' 0 C--N 1.287 -2.109 0 C-N-CA 124.015 0.926 . . . . 0.0 108.881 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -109.82 151.71 26.65 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -77.14 133.27 39.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.1 0.476 . . . . 0.0 112.146 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.6 m . . . . . 0 C--N 1.307 -1.269 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 177.485 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.0 tttp . . . . . 0 C--O 1.217 -0.624 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -108.41 126.16 52.57 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.804 -0.56 . . . . 0.0 110.588 175.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 m -115.63 118.38 32.93 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.719 -174.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -89.65 114.54 26.17 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.35 151.72 51.73 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 40' ' ' ARG . 13.5 mt -60.31 135.82 57.85 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.1 99.58 11.84 Favored 'General case' 0 N--CA 1.413 -2.304 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.576 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -95.35 -10.88 28.85 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 171.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m -68.94 -39.55 79.49 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.428 -1.26 . . . . 0.0 107.8 174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -72.89 130.81 41.25 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -79.61 104.89 10.52 Favored 'General case' 0 C--N 1.287 -2.127 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.429 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.71 -172.23 38.74 Favored Glycine 0 N--CA 1.43 -1.73 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.778 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -83.98 -179.84 4.28 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 123.419 2.746 . . . . 0.0 111.761 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.527 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 35.1 t -93.44 106.99 18.9 Favored 'General case' 0 N--CA 1.423 -1.812 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -96.53 -25.82 15.5 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 173.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -140.97 118.62 11.63 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.291 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 18.2 m -55.53 -38.22 68.96 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 123.821 0.848 . . . . 0.0 111.144 -178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.01 -39.9 92.62 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 116.331 -0.395 . . . . 0.0 112.932 178.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.6 t -71.28 -40.56 70.84 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.242 0.544 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.64 -49.88 64.77 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.927 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.33 -41.27 89.86 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.124 -0.943 . . . . 0.0 110.798 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.66 -42.09 92.08 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.732 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' LYS . 22.5 t60 -62.55 -56.26 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.757 -178.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.9 m -62.84 -32.14 73.3 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -80.0 -60.92 2.15 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.006 0.432 . . . . 0.0 111.573 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.06 -39.49 55.34 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' HIS . 28.4 tptp -85.13 -50.49 7.37 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 122.407 -0.183 . . . . 0.0 111.39 -177.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -96.04 -7.44 36.22 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.82 35.46 6.7 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 121.739 0.78 . . . . 0.0 111.385 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.39 179.77 4.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -72.51 -55.8 6.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.848 0.356 . . . . 0.0 110.785 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.0 m -160.57 168.07 25.77 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 -177.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.9 125.82 5.97 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -123.04 139.78 53.72 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.449 0.642 . . . . 0.0 111.602 -175.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 7.0 m -93.33 115.05 27.63 Favored 'General case' 0 C--N 1.28 -2.419 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.67 -179.3 4.55 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.021 -177.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -50.89 -37.64 44.9 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.966 1.306 . . . . 0.0 112.738 -175.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -1.76 8.73 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.167 0.587 . . . . 0.0 112.324 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 71.28 6.0 5.64 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.904 1.282 . . . . 0.0 109.405 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' A' ' 6' ' ' LEU . 69.9 mtm180 -90.72 148.54 22.52 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.704 -177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 62.4 m -82.89 110.46 17.91 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.179 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -104.08 105.44 15.61 Favored 'General case' 0 C--N 1.281 -2.383 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 173.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.9 m -104.44 138.4 40.9 Favored 'General case' 0 C--N 1.279 -2.46 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.782 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.7 m -86.61 122.8 31.04 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.232 -179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -108.86 146.41 33.75 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -85.11 117.19 23.91 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.289 -2.038 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -179.057 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? . . . . . 0 C--O 1.21 -0.987 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -103.24 133.6 48.06 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 170.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -140.41 148.29 41.0 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' A' ' 42' ' ' TRP . 34.8 tt0 -97.01 133.75 41.28 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 -179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -153.09 153.37 32.7 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.51 143.31 29.95 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -87.56 111.03 20.8 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.121 -1.4 . . . . 0.0 108.786 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.83 -39.72 76.28 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.386 0.612 . . . . 0.0 110.204 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 m -69.87 -23.35 63.26 Favored 'General case' 0 N--CA 1.433 -1.299 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.769 -176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -76.94 108.14 9.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -94.69 117.39 30.06 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.52 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.03 -170.48 14.6 Favored Glycine 0 C--N 1.303 -1.285 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.654 176.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -91.75 166.61 3.29 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 123.273 2.649 . . . . 0.0 111.957 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.2 t -83.68 117.18 23.03 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.045 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -97.58 -32.51 11.76 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -139.83 122.65 16.52 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.57 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 23.3 m -58.58 -40.98 84.68 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.982 0.513 . . . . 0.0 111.326 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.74 -33.02 86.12 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.48 -0.39 . . . . 0.0 112.762 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.4 t -72.66 -31.3 64.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 121.575 0.702 . . . . 0.0 109.133 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.58 -46.01 56.39 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.282 176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 33.2 t70 -56.86 -40.61 76.47 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.755 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -58.73 -47.9 83.02 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.829 177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -61.73 -50.8 70.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.848 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.52 -38.16 90.06 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.127 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 21' ' ' ASP . 7.8 mtpm? -77.87 -45.5 24.07 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -86.46 -60.3 2.03 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.7 -174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -71.37 -47.08 58.52 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.008 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -88.51 -8.14 55.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -176.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 61.38 27.91 17.44 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.986 0.514 . . . . 0.0 112.093 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD13 ' HB3' ' A' ' 45' ' ' LYS . 78.3 mt -103.4 177.31 4.88 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 51.8 ttt180 -66.38 -57.29 7.76 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -174.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.2 m -155.04 166.04 34.83 Favored 'General case' 0 C--N 1.309 -1.189 0 O-C-N 122.088 -0.383 . . . . 0.0 110.114 -176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.78 124.85 5.52 Favored Glycine 0 CA--C 1.486 -1.729 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mtm180 -124.25 127.16 47.26 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.0 m -81.81 127.63 33.18 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -103.77 178.83 4.45 Favored 'General case' 0 C--N 1.29 -2.002 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.274 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.57 -21.19 62.31 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.067 0.947 . . . . 0.0 113.14 -173.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -83.14 1.96 37.86 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.29 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 68.45 4.79 4.43 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.395 1.478 . . . . 0.0 113.731 177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -95.56 162.14 13.76 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.4 m -93.0 125.39 37.56 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HB3' ' HG2' ' A' ' 4' ' ' GLU . 1.9 m-90 -111.11 120.49 42.51 Favored 'General case' 0 N--CA 1.422 -1.862 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.27 176.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 38.1 m -104.04 141.19 36.64 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.6 m -83.55 109.05 17.07 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' HB3' HD13 ' A' ' 30' ' ' LEU . 18.6 ptpt -110.33 170.92 7.77 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 -176.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -100.59 129.44 46.52 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.1 p . . . . . 0 C--N 1.275 -2.668 0 C-N-CA 123.444 0.697 . . . . 0.0 109.217 178.295 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 p -126.32 129.88 49.73 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.058 0.456 . . . . 0.0 110.923 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.5 m -117.67 139.16 51.39 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.39 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -89.74 122.21 32.62 Favored 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -151.93 157.18 41.44 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.599 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.7 mt -56.63 138.79 51.86 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.7 135.13 57.34 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.224 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -85.91 -51.31 6.46 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.198 -170.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.466 ' HB ' ' NE2' ' A' ' 23' ' ' HIS . 6.2 m -89.23 -21.87 23.03 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 121.196 0.522 . . . . 0.0 110.63 -177.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 27.7 t80 -79.76 94.81 5.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -104.67 11.16 34.38 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.517 0.675 . . . . 0.0 111.587 -176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -100.76 179.23 28.93 Favored Glycine 0 C--N 1.286 -2.205 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.775 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -94.74 140.48 1.21 Allowed 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 123.172 2.581 . . . . 0.0 111.094 177.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.2 t -87.2 120.81 28.87 Favored 'General case' 0 C--N 1.298 -1.659 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.551 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -113.79 -50.76 2.82 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 173.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.0 m -93.82 115.59 28.01 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.449 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 22.3 m -60.95 -33.89 73.89 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.822 0.344 . . . . 0.0 110.733 -177.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.91 -36.23 79.45 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.25 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -65.77 -40.11 91.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.533 0.682 . . . . 0.0 110.158 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.5 t -71.13 -39.33 72.06 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.65 -44.29 90.94 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.181 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -58.79 -47.15 85.74 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.779 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CD2' ' HB2' ' A' ' 10' ' ' TYR . 62.5 t60 -62.6 -60.02 4.11 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.796 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m -66.99 -27.11 67.17 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.62 -60.7 2.25 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.652 -0.655 . . . . 0.0 111.994 176.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -90.04 -44.44 9.84 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -76.43 -41.57 47.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.51 -173.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -93.97 -31.24 14.35 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 66.45 62.32 0.55 Allowed 'General case' 0 C--O 1.245 0.839 0 CA-C-O 122.897 1.332 . . . . 0.0 110.512 -173.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 67.3 mt -116.28 -178.33 3.39 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -72.5 -40.05 67.17 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 118.23 0.468 . . . . 0.0 111.691 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -170.05 168.47 8.47 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.72 117.43 2.35 Favored Glycine 0 CA--C 1.499 -0.949 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -113.74 125.26 53.91 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-O 121.317 0.58 . . . . 0.0 109.627 -172.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 38.9 m -84.41 131.38 34.68 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.562 ' NE ' ' HA ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -111.17 178.08 4.45 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -176.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.48 -16.04 63.99 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -174.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.22 6.82 24.32 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.141 -0.349 . . . . 0.0 111.466 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 69.98 -0.35 2.78 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -100.09 157.63 16.43 Favored 'General case' 0 N--CA 1.423 -1.801 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.65 130.44 39.58 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -106.59 108.75 20.41 Favored 'General case' 0 N--CA 1.419 -2.003 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 170.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.8 m -110.12 136.61 49.08 Favored 'General case' 0 C--N 1.28 -2.429 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.376 -175.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.1 m -79.29 115.69 19.09 Favored 'General case' 0 N--CA 1.423 -1.777 0 CA-C-O 120.971 0.415 . . . . 0.0 110.173 -177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 5.9 ptpp? -117.0 165.96 12.74 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 176.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -82.61 144.64 30.18 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.637 179.553 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 N--CA 1.473 0.681 0 CA-C-O 121.371 0.605 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 p -140.53 145.34 36.69 Favored 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.885 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 p -140.98 139.81 34.28 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' ' 34' ' ' ARG . 32.7 tt0 -96.69 118.04 32.29 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -139.83 168.27 20.2 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -174.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.505 HD22 ' HG3' ' A' ' 40' ' ' ARG . 76.0 mt -65.75 139.89 58.39 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.144 0.497 . . . . 0.0 112.161 -178.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.8 146.52 49.27 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 114.574 -1.194 . . . . 0.0 109.936 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.34 -45.14 5.96 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -173.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -103.34 -12.69 17.06 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -66.14 114.0 4.93 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -102.27 131.11 49.05 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.249 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.24 173.71 34.22 Favored Glycine 0 N--CA 1.434 -1.462 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.61 171.26 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.349 2.033 . . . . 0.0 111.567 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 t -82.94 113.36 20.49 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -97.41 -41.9 8.0 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.625 -0.879 . . . . 0.0 108.625 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 m -127.94 122.64 32.93 Favored 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.541 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 60.9 m -58.45 -35.7 72.53 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.37 -37.42 93.1 Favored Glycine 0 C--O 1.221 -0.711 0 CA-C-O 119.985 -0.341 . . . . 0.0 112.642 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -71.89 -38.96 69.9 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 123.045 0.538 . . . . 0.0 110.88 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.8 t -64.18 -48.79 74.58 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 121.862 0.839 . . . . 0.0 109.103 177.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -60.81 -39.98 91.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.253 -1.34 . . . . 0.0 109.897 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.51 -54.1 50.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.741 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -60.96 -49.84 75.82 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.064 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m -60.85 -35.53 76.79 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -80.31 -45.73 17.35 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.797 -0.564 . . . . 0.0 111.335 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -77.14 -56.17 4.8 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -174.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -83.95 -46.65 11.85 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.416 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -87.1 -11.32 50.5 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.3 m80 60.61 37.8 19.12 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.571 0.701 . . . . 0.0 111.583 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 45' ' ' LYS . 28.6 mt -95.01 -178.21 4.41 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -73.5 -54.99 6.92 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 p -158.57 168.31 27.27 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.65 135.18 10.01 Favored Glycine 0 CA--C 1.499 -0.907 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' HD3' ' OE1' ' A' ' 4' ' ' GLU . 77.8 mtp180 -127.76 143.42 51.13 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 121.515 0.674 . . . . 0.0 110.833 -175.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 35.3 m -105.19 106.33 16.77 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 42' ' ' TRP . 9.5 mmm180 -84.94 -179.74 7.13 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.468 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.73 -31.74 66.75 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -78.32 -4.22 46.95 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 120.814 0.34 . . . . 0.0 111.489 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 68.48 0.86 2.72 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.896 1.278 . . . . 0.0 114.164 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.505 ' HG3' HD22 ' A' ' 6' ' ' LEU . 26.0 tpt180 -82.86 144.88 29.78 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 106.551 -1.648 . . . . 0.0 106.551 173.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.5 m -77.62 114.72 16.75 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' HG2' ' A' ' 36' ' ' ARG . 1.3 m-90 -101.38 102.64 13.49 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 170.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 82.6 m -102.75 139.21 38.64 Favored 'General case' 0 C--N 1.266 -3.029 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.765 -175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.5 m -79.11 112.47 16.35 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 19.6 ptmt -112.72 159.31 19.06 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.805 -176.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -84.05 121.42 27.39 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' HG3' ' A' ' 45' ' ' LYS . 27.2 m . . . . . 0 C--N 1.281 -2.379 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 CA--C 1.508 -0.661 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -90.74 145.55 24.71 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.077 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -117.48 118.72 32.95 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -102.29 109.93 21.74 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.72 169.93 16.93 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.709 -175.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.2 mt -67.19 147.26 53.3 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 43' ' ' CYS . . . -76.42 137.95 40.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.163 175.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -91.69 -50.15 5.9 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 HG22 ' OE1' ' A' ' 28' ' ' GLU . 12.2 t -91.13 -2.99 57.46 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 119.447 -0.901 . . . . 0.0 112.031 -174.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.42 112.46 8.5 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -99.52 126.63 45.51 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-O 120.946 0.403 . . . . 0.0 110.342 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.13 179.71 27.45 Favored Glycine 0 N--CA 1.424 -2.133 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.388 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -89.86 171.9 3.94 Favored 'Trans proline' 0 N--CA 1.44 -1.654 0 C-N-CA 122.622 2.215 . . . . 0.0 111.452 176.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.4 t -87.98 120.18 29.07 Favored 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.731 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -108.64 -43.65 4.23 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -113.95 110.84 20.72 Favored 'General case' 0 N--CA 1.431 -1.394 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 ' HA ' ' SG ' ' A' ' 35' ' ' CYS . 58.2 m -58.97 -36.26 74.56 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.98 -28.57 72.9 Favored Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.1 t -74.13 -36.7 64.2 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.3 t -65.0 -47.26 78.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.053 177.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.31 -42.34 95.34 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.038 0.447 . . . . 0.0 110.279 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -60.97 -43.46 98.75 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.57 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -63.58 -44.98 92.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.909 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.578 ' SG ' ' HA3' ' A' ' 33' ' ' GLY . 79.8 m -58.62 -34.6 71.34 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' LEU . 96.5 mttt -80.1 -39.36 29.74 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -179.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -90.28 -51.34 5.48 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -175.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -84.91 -45.03 12.62 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.371 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE1' HG22 ' A' ' 9' ' ' THR . 34.3 mm-40 -80.51 -20.84 42.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.281 177.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 67.08 30.81 7.2 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.148 0.979 . . . . 0.0 111.948 178.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 45' ' ' LYS . 60.3 mt -106.59 178.38 4.58 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-O 120.767 0.318 . . . . 0.0 111.155 -176.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 32.8 ttt180 -57.69 -57.68 11.66 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.159 0.984 . . . . 0.0 112.531 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.3 m -158.4 -169.54 2.79 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.578 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -169.02 164.67 38.29 Favored Glycine 0 CA--C 1.484 -1.904 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 177.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -154.03 177.18 11.35 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.114 0.483 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' A' ' 17' ' ' THR . 21.4 m -113.98 138.58 50.17 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -110.3 -178.74 3.58 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.609 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.48 -30.21 28.84 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.863 1.665 . . . . 0.0 112.908 -175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -79.23 -4.91 52.88 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.617 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 71.06 10.81 6.93 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.711 1.204 . . . . 0.0 111.635 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -92.6 151.66 20.0 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.1 m -84.05 125.73 32.38 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -113.01 104.95 12.9 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 113.801 -1.545 . . . . 0.0 107.481 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 7' ' ' ALA . 67.5 m -88.31 146.52 25.26 Favored 'General case' 0 C--N 1.288 -2.073 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 19.9 m -112.9 124.31 52.31 Favored 'General case' 0 C--N 1.286 -2.176 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB3' HD22 ' A' ' 30' ' ' LEU . 22.5 pttm -121.92 160.46 24.75 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' OD1' ' HD2' ' A' ' 31' ' ' ARG . 93.9 m-20 -83.91 131.38 34.86 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 175.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.8 m . . . . . 0 C--N 1.286 -2.193 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.01 . . . . . . . . 0 0 . 1 stop_ save_