data_2crd_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2crd _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 114.168 1.173 . . . . 20.0 114.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.7 p -137.64 147.23 44.77 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 104.808 -2.293 . . . . 20.0 104.808 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -80.85 12.91 2.91 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.275 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.36 125.22 40.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.099 -0.955 . . . . 20.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -83.94 -169.45 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.467 -1.679 . . . . 20.0 106.467 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.05 -178.71 7.5 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 117.076 -1.85 . . . . 20.0 112.702 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -145.86 -45.5 0.21 Allowed 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 112.044 -2.343 . . . . 20.0 105.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -133.33 135.49 44.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.157 -1.423 . . . . 20.0 107.157 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -47.85 -22.08 0.51 Allowed 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 115.062 1.505 . . . . 20.0 115.062 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -48.85 -35.52 14.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.646 1.213 . . . . 20.0 110.323 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.37 -52.61 37.98 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 117.073 2.249 . . . . 20.0 117.073 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 m -54.06 -37.85 64.63 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 117.204 -1.798 . . . . 20.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -49.94 -67.38 0.26 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 116.325 1.972 . . . . 20.0 116.325 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 m -58.29 -41.49 84.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.529 -1.268 . . . . 20.0 111.134 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -57.25 -56.3 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 118.392 -1.323 . . . . 20.0 109.663 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 61.4 m -52.59 -57.61 9.43 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 114.099 1.148 . . . . 20.0 114.099 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.06 70.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.206 -0.998 . . . . 20.0 113.231 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.7 -50.45 24.76 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.439 -1.304 . . . . 20.0 111.116 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.24 -48.48 78.06 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.414 1.635 . . . . 20.0 115.414 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -126.33 172.98 9.67 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.257 -0.883 . . . . 20.0 108.822 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.43 74.18 9.42 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.833 -1.173 . . . . 20.0 107.833 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -138.55 -166.61 2.03 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.581 -1.19 . . . . 20.0 107.868 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.8 m -165.02 -48.38 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.396 1.685 . . . . 20.0 107.306 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -68.88 127.89 34.72 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.424 -2.171 . . . . 20.0 111.481 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.77 159.7 28.43 Favored Glycine 0 N--CA 1.481 1.679 0 CA-C-N 113.621 -1.627 . . . . 20.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -160.59 144.59 13.84 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.072 -1.455 . . . . 20.0 107.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -103.78 155.79 18.33 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 115.898 1.814 . . . . 20.0 115.898 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 43.0 tpp -122.62 149.61 43.76 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 102.891 -3.003 . . . . 20.0 102.891 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -43.06 -30.83 0.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.681 1.238 . . . . 20.0 112.464 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -73.99 -51.86 14.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.85 -1.14 . . . . 20.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -161.86 178.64 8.74 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 118.79 -1.164 . . . . 20.0 110.601 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.82 152.04 27.1 Favored 'General case' 0 C--N 1.295 -1.765 1 N-CA-C 99.536 -4.246 . . . . 20.0 99.536 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -138.13 149.68 46.13 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.988 -1.115 . . . . 20.0 107.988 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.303 -1.456 0 O-C-N 124.101 0.875 . . . . 20.0 111.624 -179.636 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 111.951 0.352 . . . . 20.0 111.951 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 5' ' ' VAL . 45.4 p -122.3 149.45 43.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.567 -2.012 . . . . 20.0 105.567 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -82.52 28.05 0.49 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.267 0.556 . . . . 20.0 110.376 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' H ' ' C ' ' A' ' 3' ' ' THR . 75.7 t -91.31 126.12 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 115.084 -0.962 . . . . 20.0 113.361 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -93.09 131.43 38.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 105.017 -2.216 . . . . 20.0 105.017 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.82 174.75 6.95 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 118.815 -1.154 . . . . 20.0 112.721 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.0 p -104.99 -35.5 7.64 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 104.991 -2.226 . . . . 20.0 104.991 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.521 ' HG1' ' H ' ' A' ' 10' ' ' SER . 39.5 p -152.88 -60.4 0.15 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.942 -1.481 . . . . 20.0 110.384 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.521 ' H ' ' HG1' ' A' ' 9' ' ' THR . 55.1 p -177.96 -29.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.23 0.538 . . . . 20.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -47.8 -31.73 5.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.73 -61.52 2.36 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.302 -1.317 . . . . 20.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -50.24 -34.66 23.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 115.981 1.845 . . . . 20.0 115.981 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -54.23 -69.07 0.13 Allowed 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.56 -1.656 . . . . 20.0 112.842 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 m -52.64 -45.79 66.82 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 120.09 -0.644 . . . . 20.0 111.939 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.57 -57.76 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.191 -0.604 . . . . 20.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 79.5 m -50.17 -50.77 48.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.386 -0.824 . . . . 20.0 111.737 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -57.03 -48.65 77.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.664 -1.153 . . . . 20.0 113.555 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.46 -45.22 73.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.517 1.302 . . . . 20.0 114.517 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.3 -44.12 63.18 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.01 2.226 . . . . 20.0 117.01 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -128.86 8.9 5.77 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 114.191 1.182 . . . . 20.0 114.191 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 50.51 78.92 0.09 Allowed 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 122.795 1.283 . . . . 20.0 112.037 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 p -134.82 -157.43 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.607 -2.088 . . . . 20.0 108.837 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -150.15 -41.01 0.13 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.004 -0.998 . . . . 20.0 111.261 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -83.94 109.25 17.46 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.378 -0.929 . . . . 20.0 110.224 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.18 148.5 19.82 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 106.803 -2.519 . . . . 20.0 106.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -156.7 -177.4 6.58 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.431 -0.907 . . . . 20.0 108.617 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 t -153.35 141.65 20.58 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 116.585 2.069 . . . . 20.0 116.585 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 33.0 ttm -94.68 152.51 18.42 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 103.188 -2.893 . . . . 20.0 103.188 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.63 -30.04 0.85 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 125.072 1.482 . . . . 20.0 111.058 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.8 -52.09 9.46 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.679 -1.146 . . . . 20.0 109.606 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -165.28 166.56 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 115.743 1.757 . . . . 20.0 115.743 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 143.76 32.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 111.966 -2.379 . . . . 20.0 110.383 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.561 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.3 ptp180 -147.29 157.19 43.5 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.05 -1.432 . . . . 20.0 108.593 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.304 -1.411 0 CA-C-N 115.034 -0.985 . . . . 20.0 111.716 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 121.824 0.821 . . . . 20.0 112.046 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -145.55 135.64 23.77 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.103 -1.814 . . . . 20.0 106.103 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -83.07 17.57 1.93 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 115.438 -0.801 . . . . 20.0 110.272 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -85.2 125.83 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 115.417 -0.81 . . . . 20.0 112.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -83.7 165.02 19.27 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 105.965 -1.865 . . . . 20.0 105.965 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p -160.11 150.15 18.27 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.625 -1.63 . . . . 20.0 114.016 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -109.05 -37.67 5.76 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.973 -1.467 . . . . 20.0 108.797 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.0 p -125.98 137.35 53.67 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.536 -1.211 . . . . 20.0 110.29 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -58.21 -21.86 49.54 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.34 -0.845 . . . . 20.0 112.33 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -50.77 -41.47 56.84 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.899 1.333 . . . . 20.0 109.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -69.74 -45.01 69.09 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.271 -1.786 . . . . 20.0 112.646 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -51.34 -43.03 61.67 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.357 -1.337 . . . . 20.0 111.681 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -55.93 -61.22 2.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 114.257 1.206 . . . . 20.0 114.257 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -48.35 -48.74 36.23 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.943 -1.103 . . . . 20.0 110.411 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.13 -60.92 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-N 115.391 -0.822 . . . . 20.0 112.821 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.5 m -50.89 -48.54 60.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.375 -0.93 . . . . 20.0 112.361 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -56.84 -51.42 69.1 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.95 -46.26 90.1 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.223 -0.991 . . . . 20.0 113.232 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.32 -51.51 51.62 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 114.055 1.131 . . . . 20.0 114.055 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.8 160.88 33.08 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.215 -0.594 . . . . 20.0 110.926 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -73.29 85.79 1.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.487 -1.301 . . . . 20.0 107.487 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 p -137.58 -164.52 1.62 Allowed 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.053 -0.976 . . . . 20.0 110.16 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 25' ' ' ARG . 66.1 p -169.21 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.337 -1.756 . . . . 20.0 106.388 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' HG ' ' A' ' 24' ' ' SER . 44.6 mtt85 -80.71 111.73 17.42 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.388 -1.278 . . . . 20.0 112.389 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.9 158.22 27.57 Favored Glycine 0 N--CA 1.486 2.013 0 CA-C-N 114.202 -1.363 . . . . 20.0 109.74 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 164.87 38.21 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 114.786 -0.707 . . . . 20.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -108.01 136.01 48.41 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.637 1.717 . . . . 20.0 115.637 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.7 mmm -114.02 150.53 33.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 101.853 -3.388 . . . . 20.0 101.853 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.41 -25.6 0.15 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 125.375 1.672 . . . . 20.0 114.157 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -85.69 -49.03 8.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.267 -0.973 . . . . 20.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -170.91 -179.91 2.94 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.624 -0.831 . . . . 20.0 109.125 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.8 t -85.48 156.13 20.93 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 118.012 -1.475 . . . . 20.0 109.12 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 43.2 ttm180 -145.17 145.41 31.34 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.425 -1.324 . . . . 20.0 107.425 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 104.793 -2.299 . . . . 20.0 104.793 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 116.688 2.107 . . . . 20.0 116.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -134.12 149.16 51.07 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 101.529 -3.508 . . . . 20.0 101.529 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.48 18.35 1.2 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.423 -1.311 . . . . 20.0 111.765 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.18 122.73 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 115.264 1.579 . . . . 20.0 115.264 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -86.41 -173.32 4.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.42 -1.696 . . . . 20.0 106.42 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -156.84 -175.61 5.52 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.896 -1.922 . . . . 20.0 113.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' HG1' ' N ' ' A' ' 9' ' ' THR . 43.2 p -140.17 -42.29 0.42 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 110.665 -2.971 . . . . 20.0 105.157 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.409 ' N ' ' HG1' ' A' ' 8' ' ' THR . 61.3 p -137.68 138.93 39.9 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.923 -1.139 . . . . 20.0 107.923 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -54.66 -18.07 4.12 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.842 1.053 . . . . 20.0 113.842 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -52.11 -33.47 39.83 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.389 1.09 . . . . 20.0 108.712 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -68.06 -49.47 61.16 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.354 -1.294 . . . . 20.0 113.067 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 68.4 m -51.19 -41.01 59.93 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.775 -1.17 . . . . 20.0 113.592 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -55.65 -61.56 2.27 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.631 -1.228 . . . . 20.0 112.465 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 m -50.16 -50.94 47.4 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.521 -1.272 . . . . 20.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -53.36 -60.93 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 115.381 -0.827 . . . . 20.0 113.073 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.6 m -51.18 -45.46 61.78 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.394 -0.821 . . . . 20.0 112.734 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -59.72 -52.32 66.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.134 -1.026 . . . . 20.0 111.76 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -53.15 58.49 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.704 0.764 . . . . 20.0 112.294 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.23 -54.52 14.34 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 116.756 2.132 . . . . 20.0 116.756 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -120.62 160.22 23.69 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.617 -0.72 . . . . 20.0 112.265 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -83.08 71.39 10.14 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.049 -0.978 . . . . 20.0 108.637 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.9 p -124.06 -161.79 1.02 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.138 -0.937 . . . . 20.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.0 t -158.1 -46.48 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.205 -1.362 . . . . 20.0 109.238 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -81.06 144.76 31.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.93 -1.032 . . . . 20.0 108.406 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.47 146.04 10.97 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.455 -1.858 . . . . 20.0 108.455 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -147.89 175.36 11.02 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 t -150.86 133.29 15.54 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.24 -1.384 . . . . 20.0 113.964 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 tpp -93.05 155.43 17.52 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 102.805 -3.035 . . . . 20.0 102.805 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -43.67 -29.85 0.55 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 126.012 2.07 . . . . 20.0 109.419 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.12 -61.38 1.88 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.348 -1.296 . . . . 20.0 108.7 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -168.59 175.23 6.28 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.174 -0.611 . . . . 20.0 112.628 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 51.6 t -87.19 152.16 22.56 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 122.322 1.058 . . . . 20.0 112.515 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 11.2 ptt180 -148.34 140.85 24.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m . . . . . 0 C--N 1.3 -1.558 0 CA-C-N 114.639 -1.164 . . . . 20.0 110.796 -179.645 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.886 0.374 . . . . 20.0 111.404 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 p -144.81 131.98 20.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 105.976 -1.861 . . . . 20.0 105.976 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -82.42 9.85 8.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.554 -1.203 . . . . 20.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -75.59 134.12 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-N 114.812 -1.086 . . . . 20.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -91.92 -178.99 5.18 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.205 -1.406 . . . . 20.0 107.205 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 p -152.87 -168.23 2.98 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 117.235 -1.786 . . . . 20.0 113.567 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -146.7 -43.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 112.316 -2.22 . . . . 20.0 106.137 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -142.45 140.98 32.12 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.019 -1.104 . . . . 20.0 108.019 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -49.64 -21.91 1.16 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 113.787 1.032 . . . . 20.0 113.787 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -51.94 -34.87 43.89 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.09 0.947 . . . . 20.0 109.798 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -75.46 -40.21 57.74 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 114.534 -1.212 . . . . 20.0 113.081 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 36.7 m -54.92 -42.57 72.4 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 117.684 -1.606 . . . . 20.0 112.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -55.3 -52.73 62.52 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.255 1.206 . . . . 20.0 114.255 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.3 m -54.26 -54.66 37.06 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 118.639 -1.225 . . . . 20.0 109.491 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.77 -56.28 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 115.164 -0.925 . . . . 20.0 111.68 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -52.88 -51.28 61.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.594 -0.843 . . . . 20.0 112.221 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -57.35 -48.84 77.97 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.247 -0.981 . . . . 20.0 112.062 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -56.66 -51.5 68.51 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.969 0.729 . . . . 20.0 112.969 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.44 -48.34 34.5 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 117.127 2.269 . . . . 20.0 117.127 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -128.12 158.52 37.79 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.529 0.68 . . . . 20.0 112.092 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -79.3 76.48 5.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.857 -1.52 . . . . 20.0 110.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -158.78 148.85 19.51 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.12 -1.437 . . . . 20.0 107.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -103.88 -28.07 11.82 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.633 -1.167 . . . . 20.0 111.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -70.55 125.36 26.58 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.183 -0.917 . . . . 20.0 113.346 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.88 139.37 6.32 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.982 -1.104 . . . . 20.0 111.358 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.98 174.19 11.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.621 -1.622 . . . . 20.0 106.621 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 54.0 t -137.73 145.81 42.95 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.544 -1.262 . . . . 20.0 113.08 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.77 148.21 28.74 Favored 'General case' 0 C--N 1.305 -1.349 1 N-CA-C 99.96 -4.089 . . . . 20.0 99.96 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.44 -28.79 0.6 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.988 1.43 . . . . 20.0 112.035 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -74.2 -52.18 13.22 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.215 -0.994 . . . . 20.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -165.95 178.45 6.44 Favored 'General case' 0 N--CA 1.504 2.225 0 C-N-CA 120.414 -0.514 . . . . 20.0 110.696 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 48.7 t -87.87 160.31 18.03 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.669 -0.813 . . . . 20.0 111.203 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 39.9 ttm180 -148.33 140.48 24.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.786 -1.561 . . . . 20.0 106.786 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.304 -1.407 0 N-CA-C 106.174 -1.787 . . . . 20.0 106.174 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 113.494 0.924 . . . . 20.0 113.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -142.09 136.93 30.62 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.493 -1.669 . . . . 20.0 106.493 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.45 38.66 0.69 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 115.783 -0.644 . . . . 20.0 111.03 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 HG22 ' A' ' 16' ' ' VAL . 55.7 t -99.15 120.83 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-N 114.294 -1.321 . . . . 20.0 109.586 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -76.19 165.73 24.47 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.985 -1.086 . . . . 20.0 108.412 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.97 134.42 9.6 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.015 -1.074 . . . . 20.0 113.859 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -99.0 -30.78 12.15 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 114.608 -1.178 . . . . 20.0 109.753 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -136.73 138.68 41.23 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.914 -1.039 . . . . 20.0 110.693 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.2 p -47.3 -30.11 2.92 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.84 2.163 . . . . 20.0 116.84 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -56.23 -27.64 55.58 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.907 0.861 . . . . 20.0 111.45 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -63.47 -52.7 60.24 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.53 1.157 . . . . 20.0 110.178 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.49 -38.49 59.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.154 -1.839 . . . . 20.0 113.641 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -58.84 -56.45 22.1 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.068 -1.453 . . . . 20.0 112.513 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -49.68 -50.29 44.23 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.491 -1.283 . . . . 20.0 110.266 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 5' ' ' VAL . 70.2 t -56.63 -55.05 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 113.624 0.972 . . . . 20.0 113.624 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.531 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 59.3 m -50.83 -41.28 57.46 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -46.23 66.17 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.212 -0.995 . . . . 20.0 112.572 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -57.76 -61.16 2.72 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.759 2.503 . . . . 20.0 117.759 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 65.5 mt -84.47 -27.46 27.46 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 113.82 1.044 . . . . 20.0 113.82 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.62 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.93 179.74 3.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 124.727 1.267 . . . . 20.0 111.832 -178.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -131.16 65.28 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.928 -1.508 . . . . 20.0 106.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -142.11 -139.41 0.12 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.183 -2.28 . . . . 20.0 106.372 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.7 t -167.78 -49.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.8 0.809 . . . . 20.0 109.787 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.65 118.76 9.36 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.415 -1.72 . . . . 20.0 112.605 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -156.6 156.39 27.1 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.783 -1.727 . . . . 20.0 108.783 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -155.52 171.47 19.87 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.364 -0.935 . . . . 20.0 109.306 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.61 139.62 48.86 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 118.541 2.793 . . . . 20.0 118.541 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 31.3 mtp -116.25 149.34 39.35 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 102.532 -3.136 . . . . 20.0 102.532 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -39.43 -30.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 125.857 1.973 . . . . 20.0 113.107 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -79.96 -51.33 9.21 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.925 -1.11 . . . . 20.0 112.29 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -170.33 -177.12 2.37 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.891 -0.781 . . . . 20.0 108.891 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.4 t -87.97 151.97 22.4 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.716 -1.194 . . . . 20.0 110.503 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 ttm180 -138.56 142.18 39.24 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.687 -1.968 . . . . 20.0 105.687 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 106.282 -1.747 . . . . 20.0 106.282 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.392 0.615 . . . . 20.0 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 5' ' ' VAL . 3.9 p -140.08 143.86 36.51 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.261 -2.126 . . . . 20.0 105.261 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -81.14 25.4 0.48 Allowed 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.385 -0.926 . . . . 20.0 111.985 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' A' ' 3' ' ' THR . 92.6 t -87.75 119.79 35.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 115.134 -0.939 . . . . 20.0 110.376 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -80.83 -172.0 3.45 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.75 157.57 29.63 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 117.537 -1.665 . . . . 20.0 111.189 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 p -93.77 -32.97 13.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.606 -1.257 . . . . 20.0 107.606 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 10' ' ' SER . 29.2 p -146.82 -69.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.133 -0.94 . . . . 20.0 111.832 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.573 ' H ' ' HG1' ' A' ' 9' ' ' THR . 73.9 p -174.9 -26.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.483 0.659 . . . . 20.0 111.891 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -50.66 -26.65 5.7 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.697 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.53 -48.29 56.23 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.2 -0.909 . . . . 20.0 112.216 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 49.2 m -54.37 -40.34 68.04 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 117.655 -1.618 . . . . 20.0 113.561 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -47.11 -65.63 0.53 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 124.916 1.385 . . . . 20.0 113.773 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 m -55.16 -46.83 75.75 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.809 -1.156 . . . . 20.0 111.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.25 -56.36 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 113.444 0.905 . . . . 20.0 113.444 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.567 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 83.9 m -50.35 -47.02 56.14 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.673 0.749 . . . . 20.0 110.377 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.93 -45.99 76.17 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.213 -1.395 . . . . 20.0 113.572 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -62.39 -52.85 61.96 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 117.08 2.252 . . . . 20.0 117.08 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 79.1 mt -86.96 -30.99 20.89 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 115.683 1.735 . . . . 20.0 115.683 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.657 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -104.71 -24.99 12.86 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 115.631 1.715 . . . . 20.0 115.631 -178.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t30 63.37 66.99 0.68 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.635 1.207 . . . . 20.0 108.8 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -157.9 149.84 21.98 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.705 -2.043 . . . . 20.0 105.878 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -87.37 -43.75 11.89 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 120.035 -0.666 . . . . 20.0 112.196 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -64.38 124.59 22.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 115.656 1.725 . . . . 20.0 115.656 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.33 154.54 25.33 Favored Glycine 0 N--CA 1.486 2.032 0 CA-C-N 112.775 -2.011 . . . . 20.0 109.095 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -158.1 171.31 20.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 109.112 -0.699 . . . . 20.0 109.112 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 33.9 t -140.94 145.75 36.47 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.534 2.05 . . . . 20.0 116.534 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtt -105.21 152.13 23.23 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.45 -2.796 . . . . 20.0 103.45 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.481 ' H ' HD21 ' A' ' 30' ' ' ASN . 3.7 m-80 -42.36 -31.84 0.45 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 125.461 1.726 . . . . 20.0 111.068 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.67 -58.98 3.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.062 -1.426 . . . . 20.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.41 176.1 7.68 Favored 'General case' 0 N--CA 1.503 2.207 0 C-N-CA 119.911 -0.716 . . . . 20.0 112.041 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 7.8 t -81.74 148.46 28.92 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.845 -1.07 . . . . 20.0 111.291 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 38.5 ttm180 -142.21 143.95 33.15 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.945 -1.131 . . . . 20.0 107.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--N 1.304 -1.412 0 O-C-N 123.644 0.59 . . . . 20.0 109.85 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.577 0.954 . . . . 20.0 113.577 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -141.06 144.42 34.95 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.098 -1.445 . . . . 20.0 107.098 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -82.61 9.91 8.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.32 128.93 37.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 113.984 1.105 . . . . 20.0 113.984 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -82.68 168.7 16.99 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.98 -1.489 . . . . 20.0 106.98 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.56 150.98 19.96 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 118.665 -1.214 . . . . 20.0 112.678 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -117.01 -25.01 7.35 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 124.463 1.102 . . . . 20.0 108.183 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.0 p -141.73 139.65 32.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 115.084 -0.962 . . . . 20.0 108.447 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -56.84 -20.0 20.48 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.271 1.212 . . . . 20.0 114.271 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.4 -29.83 64.42 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.643 0.735 . . . . 20.0 109.559 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -76.03 -48.01 22.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.802 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m -50.83 -43.24 59.05 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 114.252 -1.34 . . . . 20.0 113.048 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -59.25 -54.66 44.34 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.713 1.375 . . . . 20.0 114.713 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -51.51 -50.7 59.42 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 118.659 -1.216 . . . . 20.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.48 -60.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 114.623 -1.171 . . . . 20.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -49.89 -50.84 44.48 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.668 -0.813 . . . . 20.0 111.792 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -54.3 -56.73 15.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.355 0.872 . . . . 20.0 113.355 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -49.41 72.1 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.641 0.978 . . . . 20.0 113.641 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.87 -48.77 43.55 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.933 2.197 . . . . 20.0 116.933 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -129.23 157.39 41.97 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.3 0.572 . . . . 20.0 110.935 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.2 77.74 4.69 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.001 -1.0 . . . . 20.0 109.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -158.31 146.65 18.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.86 -1.163 . . . . 20.0 107.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.3 m -104.88 -36.42 7.37 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.288 -1.324 . . . . 20.0 110.705 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -62.29 127.37 31.02 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.485 -0.779 . . . . 20.0 110.794 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.92 144.63 10.08 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.523 -1.431 . . . . 20.0 109.523 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -154.01 161.44 41.95 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.431 -0.581 . . . . 20.0 109.431 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.07 136.55 48.39 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 116.976 2.213 . . . . 20.0 116.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.8 ttt -110.68 144.99 38.76 Favored 'General case' 0 N--CA 1.496 1.853 1 N-CA-C 99.724 -4.176 . . . . 20.0 99.724 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.487 ' H ' HD21 ' A' ' 30' ' ' ASN . 6.0 m-80 -44.42 -23.94 0.15 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 114.429 1.27 . . . . 20.0 114.429 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -80.77 -50.19 10.17 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.797 -1.092 . . . . 20.0 111.173 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.8 -177.55 3.07 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.667 -1.235 . . . . 20.0 107.667 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.5 t -86.79 152.04 22.85 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.776 -1.17 . . . . 20.0 111.289 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 30.2 ttp180 -134.81 143.57 47.14 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.464 -1.31 . . . . 20.0 107.464 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 104.971 -2.233 . . . . 20.0 104.971 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.541 0.686 . . . . 20.0 112.122 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.5 p -140.59 140.12 35.07 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 105.281 -2.118 . . . . 20.0 105.281 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -80.62 10.1 5.26 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 118.979 -1.088 . . . . 20.0 109.528 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -77.99 127.69 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 114.987 -1.006 . . . . 20.0 112.294 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -88.87 166.75 13.76 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 105.794 -1.928 . . . . 20.0 105.794 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 3.4 p -159.48 154.8 25.41 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.822 -1.951 . . . . 20.0 113.397 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -117.51 -12.96 10.31 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.169 -1.832 . . . . 20.0 107.672 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -148.33 139.46 23.27 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.399 1.095 . . . . 20.0 112.81 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -59.69 -28.8 67.62 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.786 -1.097 . . . . 20.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -52.3 -42.22 63.59 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.488 -0.885 . . . . 20.0 109.254 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.78 -43.63 75.34 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.95 -1.023 . . . . 20.0 112.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -50.17 -45.97 53.78 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.315 -1.354 . . . . 20.0 111.717 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -53.61 -59.45 4.59 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.804 1.409 . . . . 20.0 114.804 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -48.96 -53.16 20.97 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.569 -1.252 . . . . 20.0 110.291 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.57 -57.23 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 C-N-CA 119.064 -1.054 . . . . 20.0 111.928 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -47.02 -54.95 9.09 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.886 -0.597 . . . . 20.0 112.57 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -56.0 -50.09 71.83 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 123.834 0.709 . . . . 20.0 112.842 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.29 -48.5 81.47 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.104 -1.038 . . . . 20.0 113.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.88 -50.31 57.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 114.92 1.452 . . . . 20.0 114.92 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -134.02 168.76 18.22 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.338 -0.945 . . . . 20.0 109.422 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -81.75 72.34 8.8 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.286 -1.005 . . . . 20.0 108.286 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.2 p -120.45 -162.5 0.95 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.598 -1.26 . . . . 20.0 107.598 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 p -162.3 -54.81 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 118.567 -1.253 . . . . 20.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -78.43 143.18 36.98 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.01 -1.076 . . . . 20.0 108.439 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.27 147.01 14.19 Favored Glycine 0 N--CA 1.488 2.114 0 C-N-CA 118.914 -1.613 . . . . 20.0 109.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.8 mtpt -134.89 167.09 21.53 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.038 -0.727 . . . . 20.0 109.038 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.22 127.86 48.35 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 114.527 1.306 . . . . 20.0 114.527 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -106.67 145.24 32.23 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 102.089 -3.3 . . . . 20.0 102.089 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 30' ' ' ASN . 10.7 m-80 -44.9 -28.18 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 125.362 1.664 . . . . 20.0 110.125 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -74.53 -55.56 5.79 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.741 -1.184 . . . . 20.0 109.7 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -166.94 179.67 5.14 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.509 -0.876 . . . . 20.0 109.576 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 42.3 t -88.7 158.85 18.07 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.815 -1.554 . . . . 20.0 107.588 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 40.3 ttp180 -143.07 133.22 24.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 104.584 -2.376 . . . . 20.0 104.584 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.3 -1.565 0 C-N-CA 119.013 -1.075 . . . . 20.0 110.228 -179.592 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 112.859 0.689 . . . . 20.0 112.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 p -119.76 154.62 33.92 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.182 -1.784 . . . . 20.0 106.182 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.21 17.83 1.92 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.363 0.601 . . . . 20.0 109.866 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.0 114.54 24.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 116.714 2.116 . . . . 20.0 116.714 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -71.26 160.12 33.39 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.266 -1.383 . . . . 20.0 107.266 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.1 p -156.04 167.44 30.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.775 -1.17 . . . . 20.0 112.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.34 -34.29 0.86 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 113.3 -1.773 . . . . 20.0 107.975 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -120.0 137.43 54.09 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 115.398 -0.819 . . . . 20.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -60.53 -24.59 65.47 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 114.66 1.356 . . . . 20.0 114.66 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -58.38 -20.66 45.87 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -74.92 -45.78 40.24 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.852 1.056 . . . . 20.0 113.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m -54.12 -38.12 65.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 118.547 -1.261 . . . . 20.0 111.45 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -48.18 -68.94 0.14 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.248 0.833 . . . . 20.0 113.248 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 m -50.37 -51.04 49.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.872 -0.731 . . . . 20.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.13 -59.21 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 114.39 -1.277 . . . . 20.0 112.483 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.0 m -55.23 -49.5 71.83 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.414 -0.812 . . . . 20.0 112.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.26 -52.22 53.91 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.819 -0.753 . . . . 20.0 112.773 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.41 -51.57 68.19 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.365 1.246 . . . . 20.0 114.365 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.14 -45.25 81.7 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.642 1.719 . . . . 20.0 115.642 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -120.89 -124.86 0.27 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.918 -0.583 . . . . 20.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.1 62.01 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 122.033 0.92 . . . . 20.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.7 p -123.15 -151.12 0.47 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.94 -1.482 . . . . 20.0 107.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -169.12 -42.63 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 114.939 -1.028 . . . . 20.0 108.436 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -74.51 129.93 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 113.883 -1.508 . . . . 20.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.01 167.89 35.55 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 120.104 -1.046 . . . . 20.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -143.91 173.64 11.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.999 -1.111 . . . . 20.0 107.999 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 t -132.11 125.28 30.95 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.49 1.663 . . . . 20.0 115.49 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.15 149.61 28.29 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 102.968 -2.975 . . . . 20.0 102.968 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -43.15 -29.31 0.36 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.821 1.326 . . . . 20.0 112.245 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.69 -49.43 12.1 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.544 -1.207 . . . . 20.0 112.417 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -161.61 168.11 24.06 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.334 -0.946 . . . . 20.0 112.121 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -83.61 143.58 30.02 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 100.986 -3.709 . . . . 20.0 100.986 179.607 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -130.57 144.31 51.33 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.844 -0.535 . . . . 20.0 110.623 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.5 2.044 0 O-C-N 123.945 0.778 . . . . 20.0 109.964 -179.72 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 113.676 0.991 . . . . 20.0 113.676 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -145.1 141.97 29.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.798 -1.556 . . . . 20.0 106.798 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.31 18.48 1.12 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.813 -0.755 . . . . 20.0 111.988 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -86.84 130.79 36.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -86.07 179.13 7.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.569 -0.852 . . . . 20.0 108.945 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -148.19 177.78 9.11 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 118.149 -1.421 . . . . 20.0 114.07 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 p -144.67 -45.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 111.734 -2.485 . . . . 20.0 104.947 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.9 p -128.74 135.79 49.68 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.058 -1.09 . . . . 20.0 108.058 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -51.57 -21.27 2.41 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 115.698 1.74 . . . . 20.0 115.698 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -61.9 -20.78 64.13 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.653 -0.819 . . . . 20.0 111.345 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.71 -51.21 61.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 116.136 1.902 . . . . 20.0 116.136 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -56.72 -34.55 67.6 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 117.548 -1.661 . . . . 20.0 111.832 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -53.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.596 -1.642 . . . . 20.0 113.43 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.1 p -50.18 -48.57 54.01 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.446 -1.302 . . . . 20.0 111.808 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -53.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.24 -0.984 . . . . 20.0 113.339 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 23.3 m -57.17 -45.2 83.85 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.645 -0.822 . . . . 20.0 111.278 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.46 -50.01 72.96 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.842 -1.143 . . . . 20.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -57.09 -54.51 45.93 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.968 -1.093 . . . . 20.0 113.194 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.61 -53.89 14.17 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 116.751 2.13 . . . . 20.0 116.751 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -117.54 -179.94 3.88 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 115.936 -0.575 . . . . 20.0 111.196 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -105.11 73.91 1.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.239 -0.891 . . . . 20.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 p -132.75 -154.64 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.938 -1.134 . . . . 20.0 107.938 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.2 p -165.61 -45.6 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.155 -1.054 . . . . 20.0 108.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -70.71 139.66 51.23 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 20.0 111.641 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.01 161.26 33.16 Favored Glycine 0 N--CA 1.485 1.926 0 C-N-CA 119.084 -1.532 . . . . 20.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 26.3 pttt -159.23 -173.05 4.0 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.926 -1.509 . . . . 20.0 106.926 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.9 t -143.38 151.36 40.32 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.334 -1.747 . . . . 20.0 113.374 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.0 mtp -113.55 153.01 29.49 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 103.833 -2.655 . . . . 20.0 103.833 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -43.07 -31.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 125.194 1.558 . . . . 20.0 112.103 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -75.14 -49.06 20.79 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.816 -1.153 . . . . 20.0 112.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -163.68 178.6 7.78 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.531 -0.868 . . . . 20.0 111.824 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 150.44 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 104.065 -2.569 . . . . 20.0 104.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -142.42 140.24 31.9 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.422 -0.911 . . . . 20.0 108.814 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.491 1.598 0 O-C-N 124.003 0.814 . . . . 20.0 111.018 -179.703 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.603 0.239 . . . . 20.0 111.285 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.9 p -128.58 147.45 50.71 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.131 -1.803 . . . . 20.0 106.131 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.24 33.11 0.34 Allowed 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.834 -0.746 . . . . 20.0 111.432 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.33 119.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -75.9 162.58 27.99 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.039 -1.464 . . . . 20.0 107.63 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.2 p -158.08 178.5 10.14 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.763 -1.175 . . . . 20.0 112.507 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.414 ' HG1' HG22 ' A' ' 9' ' ' THR . 55.2 p -139.83 -37.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 112.689 -2.05 . . . . 20.0 108.379 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.414 HG22 ' HG1' ' A' ' 8' ' ' THR . 62.9 p -119.72 136.17 54.54 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.646 0.736 . . . . 20.0 109.023 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.515 ' HG ' ' H ' ' A' ' 28' ' ' CYS . 69.7 m -58.22 -22.87 53.79 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.193 1.924 . . . . 20.0 116.193 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -61.63 -19.12 61.92 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.3 -0.96 . . . . 20.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -68.79 -55.0 12.63 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 114.768 -1.105 . . . . 20.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -54.32 -34.7 61.57 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.697 -1.138 . . . . 20.0 111.055 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -51.43 -71.52 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.222 -0.991 . . . . 20.0 111.801 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -45.33 -48.58 13.22 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.752 0.787 . . . . 20.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -55.49 -58.48 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-N 114.909 -1.041 . . . . 20.0 113.373 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.46 -31.38 70.38 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.518 -0.873 . . . . 20.0 113.209 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.7 -44.92 80.4 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.034 -1.466 . . . . 20.0 109.555 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.46 -49.91 67.36 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.538 -0.865 . . . . 20.0 111.601 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 10.9 mp -68.71 -60.2 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.963 1.097 . . . . 20.0 113.963 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 20' ' ' LEU . 7.8 m-70 -106.75 -154.1 0.51 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.452 -1.249 . . . . 20.0 110.47 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -141.52 65.29 1.38 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.393 -1.336 . . . . 20.0 107.393 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.5 p -120.7 -156.92 0.7 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.081 -1.418 . . . . 20.0 109.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -163.14 -52.07 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 114.655 -1.157 . . . . 20.0 109.579 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -66.23 115.49 6.26 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 114.402 -1.272 . . . . 20.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.78 163.66 31.84 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 118.891 -1.624 . . . . 20.0 110.679 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -157.62 173.0 17.52 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 114.709 -0.746 . . . . 20.0 110.732 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.515 ' H ' ' HG ' ' A' ' 10' ' ' SER . 40.8 t -120.12 132.52 55.44 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.873 1.805 . . . . 20.0 115.873 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 148.62 34.75 Favored 'General case' 0 N--CA 1.489 1.505 1 N-CA-C 99.674 -4.195 . . . . 20.0 99.674 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -44.94 -31.81 1.4 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.293 0.996 . . . . 20.0 112.476 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.78 -51.18 36.1 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.902 -1.119 . . . . 20.0 111.443 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -165.69 175.55 8.74 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 119.452 -0.899 . . . . 20.0 111.767 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -92.43 142.5 27.35 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 104.769 -2.308 . . . . 20.0 104.769 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -151.34 157.72 42.85 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 118.73 -1.188 . . . . 20.0 109.674 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 119.228 -0.989 . . . . 20.0 110.032 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 114.283 1.216 . . . . 20.0 114.283 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.7 152.58 20.14 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 114.168 1.173 . . . . 20.0 114.168 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.7 p -137.64 147.23 44.77 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 104.808 -2.293 . . . . 20.0 104.808 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -80.85 12.91 2.91 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.275 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.36 125.22 40.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.099 -0.955 . . . . 20.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -83.94 -169.45 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.467 -1.679 . . . . 20.0 106.467 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.05 -178.71 7.5 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 117.076 -1.85 . . . . 20.0 112.702 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -145.86 -45.5 0.21 Allowed 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 112.044 -2.343 . . . . 20.0 105.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -133.33 135.49 44.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.157 -1.423 . . . . 20.0 107.157 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -47.85 -22.08 0.51 Allowed 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 115.062 1.505 . . . . 20.0 115.062 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -48.85 -35.52 14.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.646 1.213 . . . . 20.0 110.323 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.37 -52.61 37.98 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 117.073 2.249 . . . . 20.0 117.073 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 m -54.06 -37.85 64.63 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 117.204 -1.798 . . . . 20.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -49.94 -67.38 0.26 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 116.325 1.972 . . . . 20.0 116.325 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 m -58.29 -41.49 84.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.529 -1.268 . . . . 20.0 111.134 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -57.25 -56.3 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 118.392 -1.323 . . . . 20.0 109.663 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 61.4 m -52.59 -57.61 9.43 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 114.099 1.148 . . . . 20.0 114.099 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.06 70.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.206 -0.998 . . . . 20.0 113.231 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.7 -50.45 24.76 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.439 -1.304 . . . . 20.0 111.116 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.24 -48.48 78.06 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.414 1.635 . . . . 20.0 115.414 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -126.33 172.98 9.67 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.257 -0.883 . . . . 20.0 108.822 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.43 74.18 9.42 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.833 -1.173 . . . . 20.0 107.833 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -138.55 -166.61 2.03 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.581 -1.19 . . . . 20.0 107.868 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.8 m -165.02 -48.38 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.396 1.685 . . . . 20.0 107.306 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -68.88 127.89 34.72 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.424 -2.171 . . . . 20.0 111.481 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.77 159.7 28.43 Favored Glycine 0 N--CA 1.481 1.679 0 CA-C-N 113.621 -1.627 . . . . 20.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -160.59 144.59 13.84 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.072 -1.455 . . . . 20.0 107.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -103.78 155.79 18.33 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 115.898 1.814 . . . . 20.0 115.898 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 43.0 tpp -122.62 149.61 43.76 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 102.891 -3.003 . . . . 20.0 102.891 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -43.06 -30.83 0.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.681 1.238 . . . . 20.0 112.464 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -73.99 -51.86 14.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.85 -1.14 . . . . 20.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -161.86 178.64 8.74 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 118.79 -1.164 . . . . 20.0 110.601 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.82 152.04 27.1 Favored 'General case' 0 C--N 1.295 -1.765 1 N-CA-C 99.536 -4.246 . . . . 20.0 99.536 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -138.13 149.68 46.13 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.988 -1.115 . . . . 20.0 107.988 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.13 156.96 18.72 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 124.101 0.875 . . . . 20.0 111.624 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -136.78 154.48 50.54 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.368 -1.742 . . . . 20.0 107.484 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.301 -1.52 0 CA-C-O 116.237 -1.839 . . . . 20.0 107.333 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.454 0.909 . . . . 20.0 113.454 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.36 144.72 27.45 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 120.189 -0.604 . . . . 20.0 111.951 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 5' ' ' VAL . 45.4 p -122.3 149.45 43.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.567 -2.012 . . . . 20.0 105.567 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -82.52 28.05 0.49 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.267 0.556 . . . . 20.0 110.376 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' H ' ' C ' ' A' ' 3' ' ' THR . 75.7 t -91.31 126.12 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 115.084 -0.962 . . . . 20.0 113.361 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -93.09 131.43 38.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 105.017 -2.216 . . . . 20.0 105.017 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.82 174.75 6.95 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 118.815 -1.154 . . . . 20.0 112.721 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.0 p -104.99 -35.5 7.64 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 104.991 -2.226 . . . . 20.0 104.991 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.521 ' HG1' ' H ' ' A' ' 10' ' ' SER . 39.5 p -152.88 -60.4 0.15 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.942 -1.481 . . . . 20.0 110.384 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.521 ' H ' ' HG1' ' A' ' 9' ' ' THR . 55.1 p -177.96 -29.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.23 0.538 . . . . 20.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -47.8 -31.73 5.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.73 -61.52 2.36 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.302 -1.317 . . . . 20.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -50.24 -34.66 23.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 115.981 1.845 . . . . 20.0 115.981 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -54.23 -69.07 0.13 Allowed 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.56 -1.656 . . . . 20.0 112.842 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 m -52.64 -45.79 66.82 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 120.09 -0.644 . . . . 20.0 111.939 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.57 -57.76 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.191 -0.604 . . . . 20.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 79.5 m -50.17 -50.77 48.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.386 -0.824 . . . . 20.0 111.737 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -57.03 -48.65 77.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.664 -1.153 . . . . 20.0 113.555 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.46 -45.22 73.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.517 1.302 . . . . 20.0 114.517 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.3 -44.12 63.18 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.01 2.226 . . . . 20.0 117.01 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -128.86 8.9 5.77 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 114.191 1.182 . . . . 20.0 114.191 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 50.51 78.92 0.09 Allowed 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 122.795 1.283 . . . . 20.0 112.037 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 p -134.82 -157.43 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.607 -2.088 . . . . 20.0 108.837 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -150.15 -41.01 0.13 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.004 -0.998 . . . . 20.0 111.261 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -83.94 109.25 17.46 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.378 -0.929 . . . . 20.0 110.224 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.18 148.5 19.82 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 106.803 -2.519 . . . . 20.0 106.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -156.7 -177.4 6.58 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.431 -0.907 . . . . 20.0 108.617 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 t -153.35 141.65 20.58 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 116.585 2.069 . . . . 20.0 116.585 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 33.0 ttm -94.68 152.51 18.42 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 103.188 -2.893 . . . . 20.0 103.188 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.63 -30.04 0.85 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 125.072 1.482 . . . . 20.0 111.058 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.8 -52.09 9.46 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.679 -1.146 . . . . 20.0 109.606 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -165.28 166.56 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 115.743 1.757 . . . . 20.0 115.743 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 143.76 32.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 111.966 -2.379 . . . . 20.0 110.383 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.3 ptp180 -147.29 157.19 43.5 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.05 -1.432 . . . . 20.0 108.593 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.2 m -119.06 148.74 42.69 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.034 -0.985 . . . . 20.0 111.716 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -117.6 163.08 16.99 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.799 -1.926 . . . . 20.0 105.799 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 116.978 -1.486 . . . . 20.0 113.067 -179.741 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 107.585 -1.265 . . . . 20.0 107.585 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -91.1 157.87 16.98 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.824 0.821 . . . . 20.0 112.046 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -145.55 135.64 23.77 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.103 -1.814 . . . . 20.0 106.103 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -83.07 17.57 1.93 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 115.438 -0.801 . . . . 20.0 110.272 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -85.2 125.83 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 115.417 -0.81 . . . . 20.0 112.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -83.7 165.02 19.27 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 105.965 -1.865 . . . . 20.0 105.965 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p -160.11 150.15 18.27 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.625 -1.63 . . . . 20.0 114.016 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -109.05 -37.67 5.76 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.973 -1.467 . . . . 20.0 108.797 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.0 p -125.98 137.35 53.67 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.536 -1.211 . . . . 20.0 110.29 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -58.21 -21.86 49.54 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.34 -0.845 . . . . 20.0 112.33 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -50.77 -41.47 56.84 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.899 1.333 . . . . 20.0 109.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -69.74 -45.01 69.09 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.271 -1.786 . . . . 20.0 112.646 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -51.34 -43.03 61.67 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.357 -1.337 . . . . 20.0 111.681 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -55.93 -61.22 2.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 114.257 1.206 . . . . 20.0 114.257 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -48.35 -48.74 36.23 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.943 -1.103 . . . . 20.0 110.411 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.13 -60.92 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-N 115.391 -0.822 . . . . 20.0 112.821 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.5 m -50.89 -48.54 60.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.375 -0.93 . . . . 20.0 112.361 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -56.84 -51.42 69.1 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.95 -46.26 90.1 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.223 -0.991 . . . . 20.0 113.232 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.32 -51.51 51.62 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 114.055 1.131 . . . . 20.0 114.055 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.8 160.88 33.08 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.215 -0.594 . . . . 20.0 110.926 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -73.29 85.79 1.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.487 -1.301 . . . . 20.0 107.487 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 p -137.58 -164.52 1.62 Allowed 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.053 -0.976 . . . . 20.0 110.16 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 25' ' ' ARG . 66.1 p -169.21 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.337 -1.756 . . . . 20.0 106.388 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' HG ' ' A' ' 24' ' ' SER . 44.6 mtt85 -80.71 111.73 17.42 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.388 -1.278 . . . . 20.0 112.389 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.9 158.22 27.57 Favored Glycine 0 N--CA 1.486 2.013 0 CA-C-N 114.202 -1.363 . . . . 20.0 109.74 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 164.87 38.21 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 114.786 -0.707 . . . . 20.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -108.01 136.01 48.41 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.637 1.717 . . . . 20.0 115.637 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.7 mmm -114.02 150.53 33.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 101.853 -3.388 . . . . 20.0 101.853 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.41 -25.6 0.15 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 125.375 1.672 . . . . 20.0 114.157 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -85.69 -49.03 8.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.267 -0.973 . . . . 20.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -170.91 -179.91 2.94 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.624 -0.831 . . . . 20.0 109.125 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.8 t -85.48 156.13 20.93 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 118.012 -1.475 . . . . 20.0 109.12 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 43.2 ttm180 -145.17 145.41 31.34 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.425 -1.324 . . . . 20.0 107.425 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 m -116.65 155.92 27.96 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 104.793 -2.299 . . . . 20.0 104.793 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -107.79 -49.57 3.2 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.812 1.412 . . . . 20.0 114.812 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 116.999 -1.477 . . . . 20.0 110.659 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 108.799 -0.815 . . . . 20.0 108.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -80.75 150.68 29.18 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 116.688 2.107 . . . . 20.0 116.688 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -134.12 149.16 51.07 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 101.529 -3.508 . . . . 20.0 101.529 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.48 18.35 1.2 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.423 -1.311 . . . . 20.0 111.765 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.18 122.73 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 115.264 1.579 . . . . 20.0 115.264 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -86.41 -173.32 4.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.42 -1.696 . . . . 20.0 106.42 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -156.84 -175.61 5.52 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.896 -1.922 . . . . 20.0 113.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' HG1' ' N ' ' A' ' 9' ' ' THR . 43.2 p -140.17 -42.29 0.42 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 110.665 -2.971 . . . . 20.0 105.157 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' N ' ' HG1' ' A' ' 8' ' ' THR . 61.3 p -137.68 138.93 39.9 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.923 -1.139 . . . . 20.0 107.923 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -54.66 -18.07 4.12 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.842 1.053 . . . . 20.0 113.842 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -52.11 -33.47 39.83 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.389 1.09 . . . . 20.0 108.712 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -68.06 -49.47 61.16 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.354 -1.294 . . . . 20.0 113.067 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 68.4 m -51.19 -41.01 59.93 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.775 -1.17 . . . . 20.0 113.592 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -55.65 -61.56 2.27 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.631 -1.228 . . . . 20.0 112.465 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 m -50.16 -50.94 47.4 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.521 -1.272 . . . . 20.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -53.36 -60.93 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 115.381 -0.827 . . . . 20.0 113.073 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.6 m -51.18 -45.46 61.78 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.394 -0.821 . . . . 20.0 112.734 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -59.72 -52.32 66.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.134 -1.026 . . . . 20.0 111.76 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -53.15 58.49 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.704 0.764 . . . . 20.0 112.294 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.23 -54.52 14.34 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 116.756 2.132 . . . . 20.0 116.756 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -120.62 160.22 23.69 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.617 -0.72 . . . . 20.0 112.265 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -83.08 71.39 10.14 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.049 -0.978 . . . . 20.0 108.637 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.9 p -124.06 -161.79 1.02 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.138 -0.937 . . . . 20.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.0 t -158.1 -46.48 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.205 -1.362 . . . . 20.0 109.238 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -81.06 144.76 31.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.93 -1.032 . . . . 20.0 108.406 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.47 146.04 10.97 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.455 -1.858 . . . . 20.0 108.455 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -147.89 175.36 11.02 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 t -150.86 133.29 15.54 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.24 -1.384 . . . . 20.0 113.964 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 tpp -93.05 155.43 17.52 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 102.805 -3.035 . . . . 20.0 102.805 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -43.67 -29.85 0.55 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 126.012 2.07 . . . . 20.0 109.419 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.12 -61.38 1.88 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.348 -1.296 . . . . 20.0 108.7 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -168.59 175.23 6.28 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.174 -0.611 . . . . 20.0 112.628 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 51.6 t -87.19 152.16 22.56 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 122.322 1.058 . . . . 20.0 112.515 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 11.2 ptt180 -148.34 140.85 24.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -89.09 162.67 15.85 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 114.639 -1.164 . . . . 20.0 110.796 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -131.37 152.38 50.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.739 -1.119 . . . . 20.0 110.311 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.304 -1.373 0 CA-C-O 116.533 -1.699 . . . . 20.0 109.367 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 113.888 1.07 . . . . 20.0 113.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -88.92 151.6 22.23 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 115.152 -0.931 . . . . 20.0 111.404 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 p -144.81 131.98 20.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 105.976 -1.861 . . . . 20.0 105.976 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -82.42 9.85 8.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.554 -1.203 . . . . 20.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -75.59 134.12 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-N 114.812 -1.086 . . . . 20.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -91.92 -178.99 5.18 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.205 -1.406 . . . . 20.0 107.205 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 p -152.87 -168.23 2.98 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 117.235 -1.786 . . . . 20.0 113.567 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -146.7 -43.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 112.316 -2.22 . . . . 20.0 106.137 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -142.45 140.98 32.12 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.019 -1.104 . . . . 20.0 108.019 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -49.64 -21.91 1.16 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 113.787 1.032 . . . . 20.0 113.787 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -51.94 -34.87 43.89 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.09 0.947 . . . . 20.0 109.798 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -75.46 -40.21 57.74 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 114.534 -1.212 . . . . 20.0 113.081 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 36.7 m -54.92 -42.57 72.4 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 117.684 -1.606 . . . . 20.0 112.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -55.3 -52.73 62.52 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.255 1.206 . . . . 20.0 114.255 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.3 m -54.26 -54.66 37.06 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 118.639 -1.225 . . . . 20.0 109.491 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.77 -56.28 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 115.164 -0.925 . . . . 20.0 111.68 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -52.88 -51.28 61.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.594 -0.843 . . . . 20.0 112.221 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -57.35 -48.84 77.97 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.247 -0.981 . . . . 20.0 112.062 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -56.66 -51.5 68.51 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.969 0.729 . . . . 20.0 112.969 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.44 -48.34 34.5 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 117.127 2.269 . . . . 20.0 117.127 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -128.12 158.52 37.79 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.529 0.68 . . . . 20.0 112.092 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -79.3 76.48 5.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.857 -1.52 . . . . 20.0 110.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -158.78 148.85 19.51 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.12 -1.437 . . . . 20.0 107.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -103.88 -28.07 11.82 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.633 -1.167 . . . . 20.0 111.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -70.55 125.36 26.58 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.183 -0.917 . . . . 20.0 113.346 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.88 139.37 6.32 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.982 -1.104 . . . . 20.0 111.358 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.98 174.19 11.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.621 -1.622 . . . . 20.0 106.621 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.643 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 54.0 t -137.73 145.81 42.95 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.544 -1.262 . . . . 20.0 113.08 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.77 148.21 28.74 Favored 'General case' 0 C--N 1.305 -1.349 1 N-CA-C 99.96 -4.089 . . . . 20.0 99.96 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.44 -28.79 0.6 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.988 1.43 . . . . 20.0 112.035 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -74.2 -52.18 13.22 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.215 -0.994 . . . . 20.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -165.95 178.45 6.44 Favored 'General case' 0 N--CA 1.504 2.225 0 C-N-CA 120.414 -0.514 . . . . 20.0 110.696 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 48.7 t -87.87 160.31 18.03 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.669 -0.813 . . . . 20.0 111.203 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 39.9 ttm180 -148.33 140.48 24.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.786 -1.561 . . . . 20.0 106.786 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.8 m -112.41 171.4 7.54 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.174 -1.787 . . . . 20.0 106.174 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -130.0 170.77 13.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 124.203 0.939 . . . . 20.0 109.235 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 116.9 -1.524 . . . . 20.0 108.854 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 115.09 1.515 . . . . 20.0 115.09 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -91.41 149.92 21.49 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.114 -1.403 . . . . 20.0 113.494 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -142.09 136.93 30.62 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.493 -1.669 . . . . 20.0 106.493 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.45 38.66 0.69 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 115.783 -0.644 . . . . 20.0 111.03 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 HG22 ' A' ' 16' ' ' VAL . 55.7 t -99.15 120.83 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-N 114.294 -1.321 . . . . 20.0 109.586 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -76.19 165.73 24.47 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.985 -1.086 . . . . 20.0 108.412 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.97 134.42 9.6 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.015 -1.074 . . . . 20.0 113.859 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -99.0 -30.78 12.15 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 114.608 -1.178 . . . . 20.0 109.753 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -136.73 138.68 41.23 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.914 -1.039 . . . . 20.0 110.693 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.2 p -47.3 -30.11 2.92 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.84 2.163 . . . . 20.0 116.84 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -56.23 -27.64 55.58 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.907 0.861 . . . . 20.0 111.45 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -63.47 -52.7 60.24 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.53 1.157 . . . . 20.0 110.178 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.49 -38.49 59.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.154 -1.839 . . . . 20.0 113.641 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -58.84 -56.45 22.1 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.068 -1.453 . . . . 20.0 112.513 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -49.68 -50.29 44.23 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.491 -1.283 . . . . 20.0 110.266 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 HG22 HG12 ' A' ' 5' ' ' VAL . 70.2 t -56.63 -55.05 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 113.624 0.972 . . . . 20.0 113.624 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.531 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 59.3 m -50.83 -41.28 57.46 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -46.23 66.17 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.212 -0.995 . . . . 20.0 112.572 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -57.76 -61.16 2.72 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.759 2.503 . . . . 20.0 117.759 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 65.5 mt -84.47 -27.46 27.46 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 113.82 1.044 . . . . 20.0 113.82 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.62 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.93 179.74 3.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 124.727 1.267 . . . . 20.0 111.832 -178.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -131.16 65.28 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.928 -1.508 . . . . 20.0 106.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -142.11 -139.41 0.12 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.183 -2.28 . . . . 20.0 106.372 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.7 t -167.78 -49.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.8 0.809 . . . . 20.0 109.787 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.65 118.76 9.36 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.415 -1.72 . . . . 20.0 112.605 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -156.6 156.39 27.1 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.783 -1.727 . . . . 20.0 108.783 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -155.52 171.47 19.87 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.364 -0.935 . . . . 20.0 109.306 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.61 139.62 48.86 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 118.541 2.793 . . . . 20.0 118.541 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 31.3 mtp -116.25 149.34 39.35 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 102.532 -3.136 . . . . 20.0 102.532 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -39.43 -30.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 125.857 1.973 . . . . 20.0 113.107 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -79.96 -51.33 9.21 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.925 -1.11 . . . . 20.0 112.29 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -170.33 -177.12 2.37 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.891 -0.781 . . . . 20.0 108.891 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.4 t -87.97 151.97 22.4 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.716 -1.194 . . . . 20.0 110.503 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 ttm180 -138.56 142.18 39.24 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.687 -1.968 . . . . 20.0 105.687 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.55 160.01 27.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.282 -1.747 . . . . 20.0 106.282 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -111.24 157.03 20.58 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 123.868 0.73 . . . . 20.0 109.652 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 117.166 -1.397 . . . . 20.0 111.112 -179.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 109.452 -0.573 . . . . 20.0 109.452 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -102.56 145.82 29.05 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 120.13 -0.628 . . . . 20.0 112.34 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 5' ' ' VAL . 3.9 p -140.08 143.86 36.51 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.261 -2.126 . . . . 20.0 105.261 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -81.14 25.4 0.48 Allowed 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.385 -0.926 . . . . 20.0 111.985 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' H ' ' C ' ' A' ' 3' ' ' THR . 92.6 t -87.75 119.79 35.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 115.134 -0.939 . . . . 20.0 110.376 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -80.83 -172.0 3.45 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.75 157.57 29.63 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 117.537 -1.665 . . . . 20.0 111.189 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 p -93.77 -32.97 13.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.606 -1.257 . . . . 20.0 107.606 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 10' ' ' SER . 29.2 p -146.82 -69.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.133 -0.94 . . . . 20.0 111.832 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.573 ' H ' ' HG1' ' A' ' 9' ' ' THR . 73.9 p -174.9 -26.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.483 0.659 . . . . 20.0 111.891 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -50.66 -26.65 5.7 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.697 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.53 -48.29 56.23 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.2 -0.909 . . . . 20.0 112.216 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 49.2 m -54.37 -40.34 68.04 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 117.655 -1.618 . . . . 20.0 113.561 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -47.11 -65.63 0.53 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 124.916 1.385 . . . . 20.0 113.773 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 m -55.16 -46.83 75.75 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.809 -1.156 . . . . 20.0 111.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.25 -56.36 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 113.444 0.905 . . . . 20.0 113.444 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.567 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 83.9 m -50.35 -47.02 56.14 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.673 0.749 . . . . 20.0 110.377 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -66.93 -45.99 76.17 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.213 -1.395 . . . . 20.0 113.572 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -62.39 -52.85 61.96 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 117.08 2.252 . . . . 20.0 117.08 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 79.1 mt -86.96 -30.99 20.89 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 115.683 1.735 . . . . 20.0 115.683 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.657 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -104.71 -24.99 12.86 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 115.631 1.715 . . . . 20.0 115.631 -178.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t30 63.37 66.99 0.68 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.635 1.207 . . . . 20.0 108.8 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -157.9 149.84 21.98 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.705 -2.043 . . . . 20.0 105.878 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -87.37 -43.75 11.89 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 120.035 -0.666 . . . . 20.0 112.196 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -64.38 124.59 22.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 115.656 1.725 . . . . 20.0 115.656 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.33 154.54 25.33 Favored Glycine 0 N--CA 1.486 2.032 0 CA-C-N 112.775 -2.011 . . . . 20.0 109.095 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -158.1 171.31 20.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 109.112 -0.699 . . . . 20.0 109.112 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.605 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 33.9 t -140.94 145.75 36.47 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.534 2.05 . . . . 20.0 116.534 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtt -105.21 152.13 23.23 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.45 -2.796 . . . . 20.0 103.45 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.481 ' H ' HD21 ' A' ' 30' ' ' ASN . 3.7 m-80 -42.36 -31.84 0.45 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 125.461 1.726 . . . . 20.0 111.068 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.67 -58.98 3.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.062 -1.426 . . . . 20.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.41 176.1 7.68 Favored 'General case' 0 N--CA 1.503 2.207 0 C-N-CA 119.911 -0.716 . . . . 20.0 112.041 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 7.8 t -81.74 148.46 28.92 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.845 -1.07 . . . . 20.0 111.291 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 38.5 ttm180 -142.21 143.95 33.15 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.945 -1.131 . . . . 20.0 107.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -120.05 172.7 7.56 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 123.644 0.59 . . . . 20.0 109.85 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -132.45 158.51 41.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 114.566 -1.197 . . . . 20.0 110.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.93 -1.51 . . . . 20.0 109.764 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 108.802 -0.814 . . . . 20.0 108.802 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.95 148.26 42.36 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.577 0.954 . . . . 20.0 113.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -141.06 144.42 34.95 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.098 -1.445 . . . . 20.0 107.098 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -82.61 9.91 8.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.32 128.93 37.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 113.984 1.105 . . . . 20.0 113.984 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -82.68 168.7 16.99 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.98 -1.489 . . . . 20.0 106.98 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.56 150.98 19.96 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 118.665 -1.214 . . . . 20.0 112.678 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -117.01 -25.01 7.35 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 124.463 1.102 . . . . 20.0 108.183 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.0 p -141.73 139.65 32.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 115.084 -0.962 . . . . 20.0 108.447 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -56.84 -20.0 20.48 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.271 1.212 . . . . 20.0 114.271 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.4 -29.83 64.42 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.643 0.735 . . . . 20.0 109.559 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -76.03 -48.01 22.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.802 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m -50.83 -43.24 59.05 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 114.252 -1.34 . . . . 20.0 113.048 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -59.25 -54.66 44.34 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.713 1.375 . . . . 20.0 114.713 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -51.51 -50.7 59.42 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 118.659 -1.216 . . . . 20.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.48 -60.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 114.623 -1.171 . . . . 20.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -49.89 -50.84 44.48 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.668 -0.813 . . . . 20.0 111.792 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -54.3 -56.73 15.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.355 0.872 . . . . 20.0 113.355 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -49.41 72.1 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.641 0.978 . . . . 20.0 113.641 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.87 -48.77 43.55 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.933 2.197 . . . . 20.0 116.933 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -129.23 157.39 41.97 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.3 0.572 . . . . 20.0 110.935 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.2 77.74 4.69 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.001 -1.0 . . . . 20.0 109.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -158.31 146.65 18.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.86 -1.163 . . . . 20.0 107.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.3 m -104.88 -36.42 7.37 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.288 -1.324 . . . . 20.0 110.705 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -62.29 127.37 31.02 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.485 -0.779 . . . . 20.0 110.794 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.92 144.63 10.08 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.523 -1.431 . . . . 20.0 109.523 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -154.01 161.44 41.95 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.431 -0.581 . . . . 20.0 109.431 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.07 136.55 48.39 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 116.976 2.213 . . . . 20.0 116.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.8 ttt -110.68 144.99 38.76 Favored 'General case' 0 N--CA 1.496 1.853 1 N-CA-C 99.724 -4.176 . . . . 20.0 99.724 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.487 ' H ' HD21 ' A' ' 30' ' ' ASN . 6.0 m-80 -44.42 -23.94 0.15 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 114.429 1.27 . . . . 20.0 114.429 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -80.77 -50.19 10.17 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.797 -1.092 . . . . 20.0 111.173 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.8 -177.55 3.07 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.667 -1.235 . . . . 20.0 107.667 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.5 t -86.79 152.04 22.85 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.776 -1.17 . . . . 20.0 111.289 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 30.2 ttp180 -134.81 143.57 47.14 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.464 -1.31 . . . . 20.0 107.464 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.4 m -123.77 -174.26 2.94 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 104.971 -2.233 . . . . 20.0 104.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -137.65 152.5 49.38 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.93 -0.708 . . . . 20.0 109.881 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.652 -1.642 . . . . 20.0 110.059 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 115.36 1.615 . . . . 20.0 115.36 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -85.04 152.7 23.23 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.333 -1.303 . . . . 20.0 112.122 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.5 p -140.59 140.12 35.07 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 105.281 -2.118 . . . . 20.0 105.281 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -80.62 10.1 5.26 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 118.979 -1.088 . . . . 20.0 109.528 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -77.99 127.69 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 114.987 -1.006 . . . . 20.0 112.294 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -88.87 166.75 13.76 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 105.794 -1.928 . . . . 20.0 105.794 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.447 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 3.4 p -159.48 154.8 25.41 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.822 -1.951 . . . . 20.0 113.397 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -117.51 -12.96 10.31 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.169 -1.832 . . . . 20.0 107.672 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -148.33 139.46 23.27 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.399 1.095 . . . . 20.0 112.81 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -59.69 -28.8 67.62 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.786 -1.097 . . . . 20.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -52.3 -42.22 63.59 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.488 -0.885 . . . . 20.0 109.254 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.78 -43.63 75.34 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.95 -1.023 . . . . 20.0 112.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -50.17 -45.97 53.78 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.315 -1.354 . . . . 20.0 111.717 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -53.61 -59.45 4.59 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.804 1.409 . . . . 20.0 114.804 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -48.96 -53.16 20.97 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.569 -1.252 . . . . 20.0 110.291 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.57 -57.23 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 C-N-CA 119.064 -1.054 . . . . 20.0 111.928 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -47.02 -54.95 9.09 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.886 -0.597 . . . . 20.0 112.57 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -56.0 -50.09 71.83 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 123.834 0.709 . . . . 20.0 112.842 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.29 -48.5 81.47 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.104 -1.038 . . . . 20.0 113.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.88 -50.31 57.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 114.92 1.452 . . . . 20.0 114.92 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -134.02 168.76 18.22 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.338 -0.945 . . . . 20.0 109.422 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -81.75 72.34 8.8 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.286 -1.005 . . . . 20.0 108.286 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.2 p -120.45 -162.5 0.95 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.598 -1.26 . . . . 20.0 107.598 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 p -162.3 -54.81 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 118.567 -1.253 . . . . 20.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -78.43 143.18 36.98 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.01 -1.076 . . . . 20.0 108.439 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.27 147.01 14.19 Favored Glycine 0 N--CA 1.488 2.114 0 C-N-CA 118.914 -1.613 . . . . 20.0 109.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.8 mtpt -134.89 167.09 21.53 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.038 -0.727 . . . . 20.0 109.038 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.22 127.86 48.35 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 114.527 1.306 . . . . 20.0 114.527 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -106.67 145.24 32.23 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 102.089 -3.3 . . . . 20.0 102.089 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 30' ' ' ASN . 10.7 m-80 -44.9 -28.18 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 125.362 1.664 . . . . 20.0 110.125 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -74.53 -55.56 5.79 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.741 -1.184 . . . . 20.0 109.7 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -166.94 179.67 5.14 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.509 -0.876 . . . . 20.0 109.576 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 42.3 t -88.7 158.85 18.07 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.815 -1.554 . . . . 20.0 107.588 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 40.3 ttp180 -143.07 133.22 24.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 104.584 -2.376 . . . . 20.0 104.584 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.9 m -107.02 159.57 16.19 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.013 -1.075 . . . . 20.0 110.228 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -130.69 157.3 43.17 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.708 -1.587 . . . . 20.0 108.609 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.302 -1.495 0 CA-C-O 116.936 -1.507 . . . . 20.0 108.484 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.533 -1.284 . . . . 20.0 107.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -107.8 134.29 50.96 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.82 -0.752 . . . . 20.0 112.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 p -119.76 154.62 33.92 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.182 -1.784 . . . . 20.0 106.182 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.21 17.83 1.92 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.363 0.601 . . . . 20.0 109.866 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.0 114.54 24.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 116.714 2.116 . . . . 20.0 116.714 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -71.26 160.12 33.39 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.266 -1.383 . . . . 20.0 107.266 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.1 p -156.04 167.44 30.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.775 -1.17 . . . . 20.0 112.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.34 -34.29 0.86 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 113.3 -1.773 . . . . 20.0 107.975 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -120.0 137.43 54.09 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 115.398 -0.819 . . . . 20.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -60.53 -24.59 65.47 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 114.66 1.356 . . . . 20.0 114.66 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -58.38 -20.66 45.87 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -74.92 -45.78 40.24 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.852 1.056 . . . . 20.0 113.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m -54.12 -38.12 65.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 118.547 -1.261 . . . . 20.0 111.45 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -48.18 -68.94 0.14 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.248 0.833 . . . . 20.0 113.248 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 m -50.37 -51.04 49.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.872 -0.731 . . . . 20.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.13 -59.21 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 114.39 -1.277 . . . . 20.0 112.483 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.0 m -55.23 -49.5 71.83 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.414 -0.812 . . . . 20.0 112.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.26 -52.22 53.91 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.819 -0.753 . . . . 20.0 112.773 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.41 -51.57 68.19 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.365 1.246 . . . . 20.0 114.365 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.14 -45.25 81.7 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.642 1.719 . . . . 20.0 115.642 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -120.89 -124.86 0.27 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.918 -0.583 . . . . 20.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.1 62.01 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 122.033 0.92 . . . . 20.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.7 p -123.15 -151.12 0.47 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.94 -1.482 . . . . 20.0 107.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -169.12 -42.63 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 114.939 -1.028 . . . . 20.0 108.436 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -74.51 129.93 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 113.883 -1.508 . . . . 20.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.01 167.89 35.55 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 120.104 -1.046 . . . . 20.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -143.91 173.64 11.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.999 -1.111 . . . . 20.0 107.999 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 t -132.11 125.28 30.95 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.49 1.663 . . . . 20.0 115.49 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.15 149.61 28.29 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 102.968 -2.975 . . . . 20.0 102.968 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -43.15 -29.31 0.36 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.821 1.326 . . . . 20.0 112.245 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.69 -49.43 12.1 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.544 -1.207 . . . . 20.0 112.417 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -161.61 168.11 24.06 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.334 -0.946 . . . . 20.0 112.121 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -83.61 143.58 30.02 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 100.986 -3.709 . . . . 20.0 100.986 179.607 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -130.57 144.31 51.33 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.844 -0.535 . . . . 20.0 110.623 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.17 151.94 25.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 123.945 0.778 . . . . 20.0 109.964 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -111.83 155.43 23.6 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 116.051 -0.522 . . . . 20.0 109.834 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.103 -1.427 . . . . 20.0 109.867 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 107.438 -1.319 . . . . 20.0 107.438 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -86.1 149.22 25.29 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.676 0.991 . . . . 20.0 113.676 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -145.1 141.97 29.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.798 -1.556 . . . . 20.0 106.798 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.31 18.48 1.12 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.813 -0.755 . . . . 20.0 111.988 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -86.84 130.79 36.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -86.07 179.13 7.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.569 -0.852 . . . . 20.0 108.945 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -148.19 177.78 9.11 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 118.149 -1.421 . . . . 20.0 114.07 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 p -144.67 -45.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 111.734 -2.485 . . . . 20.0 104.947 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.9 p -128.74 135.79 49.68 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.058 -1.09 . . . . 20.0 108.058 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -51.57 -21.27 2.41 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 115.698 1.74 . . . . 20.0 115.698 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -61.9 -20.78 64.13 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.653 -0.819 . . . . 20.0 111.345 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.71 -51.21 61.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 116.136 1.902 . . . . 20.0 116.136 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -56.72 -34.55 67.6 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 117.548 -1.661 . . . . 20.0 111.832 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -53.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.596 -1.642 . . . . 20.0 113.43 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.1 p -50.18 -48.57 54.01 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.446 -1.302 . . . . 20.0 111.808 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -53.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.24 -0.984 . . . . 20.0 113.339 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 23.3 m -57.17 -45.2 83.85 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.645 -0.822 . . . . 20.0 111.278 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.46 -50.01 72.96 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.842 -1.143 . . . . 20.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -57.09 -54.51 45.93 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.968 -1.093 . . . . 20.0 113.194 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.61 -53.89 14.17 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 116.751 2.13 . . . . 20.0 116.751 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -117.54 -179.94 3.88 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 115.936 -0.575 . . . . 20.0 111.196 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -105.11 73.91 1.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.239 -0.891 . . . . 20.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 p -132.75 -154.64 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.938 -1.134 . . . . 20.0 107.938 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.2 p -165.61 -45.6 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.155 -1.054 . . . . 20.0 108.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -70.71 139.66 51.23 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 20.0 111.641 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.01 161.26 33.16 Favored Glycine 0 N--CA 1.485 1.926 0 C-N-CA 119.084 -1.532 . . . . 20.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 26.3 pttt -159.23 -173.05 4.0 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.926 -1.509 . . . . 20.0 106.926 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.9 t -143.38 151.36 40.32 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.334 -1.747 . . . . 20.0 113.374 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.0 mtp -113.55 153.01 29.49 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 103.833 -2.655 . . . . 20.0 103.833 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -43.07 -31.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 125.194 1.558 . . . . 20.0 112.103 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -75.14 -49.06 20.79 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.816 -1.153 . . . . 20.0 112.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -163.68 178.6 7.78 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.531 -0.868 . . . . 20.0 111.824 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 150.44 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 104.065 -2.569 . . . . 20.0 104.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -142.42 140.24 31.9 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.422 -0.911 . . . . 20.0 108.814 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.5 m -96.48 158.66 15.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 124.003 0.814 . . . . 20.0 111.018 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -141.61 152.5 44.05 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.004 -1.453 . . . . 20.0 110.547 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.3 -1.555 0 N-CA-C 106.366 -1.716 . . . . 20.0 106.366 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 115.183 1.549 . . . . 20.0 115.183 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -91.59 149.62 21.57 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 113.746 -1.57 . . . . 20.0 111.285 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.9 p -128.58 147.45 50.71 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.131 -1.803 . . . . 20.0 106.131 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.24 33.11 0.34 Allowed 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.834 -0.746 . . . . 20.0 111.432 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.33 119.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -75.9 162.58 27.99 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.039 -1.464 . . . . 20.0 107.63 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.2 p -158.08 178.5 10.14 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.763 -1.175 . . . . 20.0 112.507 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.414 ' HG1' HG22 ' A' ' 9' ' ' THR . 55.2 p -139.83 -37.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 112.689 -2.05 . . . . 20.0 108.379 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.414 HG22 ' HG1' ' A' ' 8' ' ' THR . 62.9 p -119.72 136.17 54.54 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.646 0.736 . . . . 20.0 109.023 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.515 ' HG ' ' H ' ' A' ' 28' ' ' CYS . 69.7 m -58.22 -22.87 53.79 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.193 1.924 . . . . 20.0 116.193 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -61.63 -19.12 61.92 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.3 -0.96 . . . . 20.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -68.79 -55.0 12.63 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 114.768 -1.105 . . . . 20.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -54.32 -34.7 61.57 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.697 -1.138 . . . . 20.0 111.055 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -51.43 -71.52 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.222 -0.991 . . . . 20.0 111.801 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -45.33 -48.58 13.22 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.752 0.787 . . . . 20.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -55.49 -58.48 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-N 114.909 -1.041 . . . . 20.0 113.373 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.46 -31.38 70.38 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.518 -0.873 . . . . 20.0 113.209 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.7 -44.92 80.4 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.034 -1.466 . . . . 20.0 109.555 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.46 -49.91 67.36 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.538 -0.865 . . . . 20.0 111.601 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 10.9 mp -68.71 -60.2 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.963 1.097 . . . . 20.0 113.963 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 20' ' ' LEU . 7.8 m-70 -106.75 -154.1 0.51 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.452 -1.249 . . . . 20.0 110.47 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -141.52 65.29 1.38 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.393 -1.336 . . . . 20.0 107.393 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.5 p -120.7 -156.92 0.7 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.081 -1.418 . . . . 20.0 109.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -163.14 -52.07 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 114.655 -1.157 . . . . 20.0 109.579 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -66.23 115.49 6.26 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 114.402 -1.272 . . . . 20.0 110.808 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.78 163.66 31.84 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 118.891 -1.624 . . . . 20.0 110.679 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -157.62 173.0 17.52 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 114.709 -0.746 . . . . 20.0 110.732 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.515 ' H ' ' HG ' ' A' ' 10' ' ' SER . 40.8 t -120.12 132.52 55.44 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.873 1.805 . . . . 20.0 115.873 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 148.62 34.75 Favored 'General case' 0 N--CA 1.489 1.505 1 N-CA-C 99.674 -4.195 . . . . 20.0 99.674 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -44.94 -31.81 1.4 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.293 0.996 . . . . 20.0 112.476 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.78 -51.18 36.1 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.902 -1.119 . . . . 20.0 111.443 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -165.69 175.55 8.74 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 119.452 -0.899 . . . . 20.0 111.767 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -92.43 142.5 27.35 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 104.769 -2.308 . . . . 20.0 104.769 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -151.34 157.72 42.85 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 118.73 -1.188 . . . . 20.0 109.674 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -128.41 165.24 21.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.228 -0.989 . . . . 20.0 110.032 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -124.2 172.26 9.19 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.264 -1.335 . . . . 20.0 109.136 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.302 -1.497 0 CA-C-O 116.784 -1.579 . . . . 20.0 109.888 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 114.168 1.173 . . . . 20.0 114.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.7 p -137.64 147.23 44.77 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 104.808 -2.293 . . . . 20.0 104.808 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -80.85 12.91 2.91 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.275 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.36 125.22 40.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.099 -0.955 . . . . 20.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -83.94 -169.45 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.467 -1.679 . . . . 20.0 106.467 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.05 -178.71 7.5 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 117.076 -1.85 . . . . 20.0 112.702 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -145.86 -45.5 0.21 Allowed 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 112.044 -2.343 . . . . 20.0 105.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -133.33 135.49 44.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.157 -1.423 . . . . 20.0 107.157 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -47.85 -22.08 0.51 Allowed 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 115.062 1.505 . . . . 20.0 115.062 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -48.85 -35.52 14.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.646 1.213 . . . . 20.0 110.323 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.37 -52.61 37.98 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 117.073 2.249 . . . . 20.0 117.073 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 m -54.06 -37.85 64.63 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 117.204 -1.798 . . . . 20.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -49.94 -67.38 0.26 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 116.325 1.972 . . . . 20.0 116.325 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 m -58.29 -41.49 84.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.529 -1.268 . . . . 20.0 111.134 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -57.25 -56.3 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 118.392 -1.323 . . . . 20.0 109.663 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 61.4 m -52.59 -57.61 9.43 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 114.099 1.148 . . . . 20.0 114.099 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -58.51 -34.06 70.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.206 -0.998 . . . . 20.0 113.231 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.7 -50.45 24.76 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.439 -1.304 . . . . 20.0 111.116 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.24 -48.48 78.06 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.414 1.635 . . . . 20.0 115.414 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -126.33 172.98 9.67 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.257 -0.883 . . . . 20.0 108.822 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.43 74.18 9.42 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.833 -1.173 . . . . 20.0 107.833 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -138.55 -166.61 2.03 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.581 -1.19 . . . . 20.0 107.868 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 18' ' ' GLN . 61.8 m -165.02 -48.38 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.396 1.685 . . . . 20.0 107.306 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -68.88 127.89 34.72 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.424 -2.171 . . . . 20.0 111.481 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.77 159.7 28.43 Favored Glycine 0 N--CA 1.481 1.679 0 CA-C-N 113.621 -1.627 . . . . 20.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -160.59 144.59 13.84 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.072 -1.455 . . . . 20.0 107.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -103.78 155.79 18.33 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 115.898 1.814 . . . . 20.0 115.898 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 43.0 tpp -122.62 149.61 43.76 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 102.891 -3.003 . . . . 20.0 102.891 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -43.06 -30.83 0.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.681 1.238 . . . . 20.0 112.464 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -73.99 -51.86 14.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.85 -1.14 . . . . 20.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -161.86 178.64 8.74 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 118.79 -1.164 . . . . 20.0 110.601 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.82 152.04 27.1 Favored 'General case' 0 C--N 1.295 -1.765 1 N-CA-C 99.536 -4.246 . . . . 20.0 99.536 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -138.13 149.68 46.13 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.988 -1.115 . . . . 20.0 107.988 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.303 -1.456 0 O-C-N 124.101 0.875 . . . . 20.0 111.624 -179.636 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 111.951 0.352 . . . . 20.0 111.951 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.4 p -122.3 149.45 43.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.567 -2.012 . . . . 20.0 105.567 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -82.52 28.05 0.49 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.267 0.556 . . . . 20.0 110.376 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.31 126.12 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 115.084 -0.962 . . . . 20.0 113.361 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -93.09 131.43 38.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 105.017 -2.216 . . . . 20.0 105.017 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.82 174.75 6.95 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 118.815 -1.154 . . . . 20.0 112.721 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.0 p -104.99 -35.5 7.64 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 104.991 -2.226 . . . . 20.0 104.991 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -152.88 -60.4 0.15 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.942 -1.481 . . . . 20.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.1 p -177.96 -29.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.23 0.538 . . . . 20.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -47.8 -31.73 5.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.73 -61.52 2.36 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.302 -1.317 . . . . 20.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -50.24 -34.66 23.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 115.981 1.845 . . . . 20.0 115.981 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -54.23 -69.07 0.13 Allowed 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.56 -1.656 . . . . 20.0 112.842 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 m -52.64 -45.79 66.82 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 120.09 -0.644 . . . . 20.0 111.939 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.57 -57.76 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.191 -0.604 . . . . 20.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 79.5 m -50.17 -50.77 48.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.386 -0.824 . . . . 20.0 111.737 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.03 -48.65 77.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.664 -1.153 . . . . 20.0 113.555 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.46 -45.22 73.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.517 1.302 . . . . 20.0 114.517 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.3 -44.12 63.18 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.01 2.226 . . . . 20.0 117.01 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -128.86 8.9 5.77 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 114.191 1.182 . . . . 20.0 114.191 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 50.51 78.92 0.09 Allowed 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 122.795 1.283 . . . . 20.0 112.037 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 p -134.82 -157.43 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.607 -2.088 . . . . 20.0 108.837 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -150.15 -41.01 0.13 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.004 -0.998 . . . . 20.0 111.261 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -83.94 109.25 17.46 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.378 -0.929 . . . . 20.0 110.224 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.18 148.5 19.82 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 106.803 -2.519 . . . . 20.0 106.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -156.7 -177.4 6.58 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.431 -0.907 . . . . 20.0 108.617 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 7.3 t -153.35 141.65 20.58 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 116.585 2.069 . . . . 20.0 116.585 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 33.0 ttm -94.68 152.51 18.42 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 103.188 -2.893 . . . . 20.0 103.188 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.63 -30.04 0.85 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 125.072 1.482 . . . . 20.0 111.058 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.8 -52.09 9.46 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.679 -1.146 . . . . 20.0 109.606 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -165.28 166.56 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 115.743 1.757 . . . . 20.0 115.743 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.81 143.76 32.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 111.966 -2.379 . . . . 20.0 110.383 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.561 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.3 ptp180 -147.29 157.19 43.5 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.05 -1.432 . . . . 20.0 108.593 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.304 -1.411 0 CA-C-N 115.034 -0.985 . . . . 20.0 111.716 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 121.824 0.821 . . . . 20.0 112.046 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -145.55 135.64 23.77 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.103 -1.814 . . . . 20.0 106.103 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -83.07 17.57 1.93 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 115.438 -0.801 . . . . 20.0 110.272 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -85.2 125.83 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 115.417 -0.81 . . . . 20.0 112.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -83.7 165.02 19.27 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 105.965 -1.865 . . . . 20.0 105.965 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p -160.11 150.15 18.27 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.625 -1.63 . . . . 20.0 114.016 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -109.05 -37.67 5.76 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.973 -1.467 . . . . 20.0 108.797 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.0 p -125.98 137.35 53.67 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.536 -1.211 . . . . 20.0 110.29 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -58.21 -21.86 49.54 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.34 -0.845 . . . . 20.0 112.33 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -50.77 -41.47 56.84 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.899 1.333 . . . . 20.0 109.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -69.74 -45.01 69.09 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.271 -1.786 . . . . 20.0 112.646 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -51.34 -43.03 61.67 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.357 -1.337 . . . . 20.0 111.681 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -55.93 -61.22 2.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 114.257 1.206 . . . . 20.0 114.257 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -48.35 -48.74 36.23 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.943 -1.103 . . . . 20.0 110.411 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.13 -60.92 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-N 115.391 -0.822 . . . . 20.0 112.821 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.5 m -50.89 -48.54 60.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.375 -0.93 . . . . 20.0 112.361 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -56.84 -51.42 69.1 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.95 -46.26 90.1 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.223 -0.991 . . . . 20.0 113.232 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.32 -51.51 51.62 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 114.055 1.131 . . . . 20.0 114.055 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.8 160.88 33.08 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.215 -0.594 . . . . 20.0 110.926 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -73.29 85.79 1.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.487 -1.301 . . . . 20.0 107.487 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 p -137.58 -164.52 1.62 Allowed 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.053 -0.976 . . . . 20.0 110.16 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -169.21 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.337 -1.756 . . . . 20.0 106.388 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -80.71 111.73 17.42 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.388 -1.278 . . . . 20.0 112.389 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.9 158.22 27.57 Favored Glycine 0 N--CA 1.486 2.013 0 CA-C-N 114.202 -1.363 . . . . 20.0 109.74 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 164.87 38.21 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 114.786 -0.707 . . . . 20.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -108.01 136.01 48.41 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.637 1.717 . . . . 20.0 115.637 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.7 mmm -114.02 150.53 33.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 101.853 -3.388 . . . . 20.0 101.853 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.41 -25.6 0.15 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 125.375 1.672 . . . . 20.0 114.157 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -85.69 -49.03 8.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.267 -0.973 . . . . 20.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -170.91 -179.91 2.94 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.624 -0.831 . . . . 20.0 109.125 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.8 t -85.48 156.13 20.93 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 118.012 -1.475 . . . . 20.0 109.12 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 43.2 ttm180 -145.17 145.41 31.34 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.425 -1.324 . . . . 20.0 107.425 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 104.793 -2.299 . . . . 20.0 104.793 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 116.688 2.107 . . . . 20.0 116.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -134.12 149.16 51.07 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 101.529 -3.508 . . . . 20.0 101.529 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.48 18.35 1.2 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.423 -1.311 . . . . 20.0 111.765 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.18 122.73 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 115.264 1.579 . . . . 20.0 115.264 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -86.41 -173.32 4.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.42 -1.696 . . . . 20.0 106.42 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -156.84 -175.61 5.52 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.896 -1.922 . . . . 20.0 113.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -140.17 -42.29 0.42 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 110.665 -2.971 . . . . 20.0 105.157 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -137.68 138.93 39.9 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.923 -1.139 . . . . 20.0 107.923 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -54.66 -18.07 4.12 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.842 1.053 . . . . 20.0 113.842 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -52.11 -33.47 39.83 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.389 1.09 . . . . 20.0 108.712 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -68.06 -49.47 61.16 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.354 -1.294 . . . . 20.0 113.067 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 68.4 m -51.19 -41.01 59.93 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.775 -1.17 . . . . 20.0 113.592 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -55.65 -61.56 2.27 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.631 -1.228 . . . . 20.0 112.465 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 m -50.16 -50.94 47.4 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.521 -1.272 . . . . 20.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -53.36 -60.93 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 115.381 -0.827 . . . . 20.0 113.073 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.6 m -51.18 -45.46 61.78 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.394 -0.821 . . . . 20.0 112.734 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -59.72 -52.32 66.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.134 -1.026 . . . . 20.0 111.76 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -53.15 58.49 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.704 0.764 . . . . 20.0 112.294 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.23 -54.52 14.34 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 116.756 2.132 . . . . 20.0 116.756 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -120.62 160.22 23.69 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.617 -0.72 . . . . 20.0 112.265 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.08 71.39 10.14 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.049 -0.978 . . . . 20.0 108.637 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.9 p -124.06 -161.79 1.02 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.138 -0.937 . . . . 20.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.0 t -158.1 -46.48 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.205 -1.362 . . . . 20.0 109.238 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -81.06 144.76 31.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.93 -1.032 . . . . 20.0 108.406 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.47 146.04 10.97 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.455 -1.858 . . . . 20.0 108.455 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -147.89 175.36 11.02 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 t -150.86 133.29 15.54 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.24 -1.384 . . . . 20.0 113.964 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 tpp -93.05 155.43 17.52 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 102.805 -3.035 . . . . 20.0 102.805 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -43.67 -29.85 0.55 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 126.012 2.07 . . . . 20.0 109.419 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.12 -61.38 1.88 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.348 -1.296 . . . . 20.0 108.7 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -168.59 175.23 6.28 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.174 -0.611 . . . . 20.0 112.628 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 51.6 t -87.19 152.16 22.56 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 122.322 1.058 . . . . 20.0 112.515 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 11.2 ptt180 -148.34 140.85 24.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m . . . . . 0 C--N 1.3 -1.558 0 CA-C-N 114.639 -1.164 . . . . 20.0 110.796 -179.645 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.886 0.374 . . . . 20.0 111.404 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 p -144.81 131.98 20.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 105.976 -1.861 . . . . 20.0 105.976 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -82.42 9.85 8.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.554 -1.203 . . . . 20.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -75.59 134.12 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-N 114.812 -1.086 . . . . 20.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -91.92 -178.99 5.18 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.205 -1.406 . . . . 20.0 107.205 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 p -152.87 -168.23 2.98 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 117.235 -1.786 . . . . 20.0 113.567 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -146.7 -43.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 112.316 -2.22 . . . . 20.0 106.137 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -142.45 140.98 32.12 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.019 -1.104 . . . . 20.0 108.019 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -49.64 -21.91 1.16 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 113.787 1.032 . . . . 20.0 113.787 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -51.94 -34.87 43.89 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.09 0.947 . . . . 20.0 109.798 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -75.46 -40.21 57.74 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 114.534 -1.212 . . . . 20.0 113.081 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 36.7 m -54.92 -42.57 72.4 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 117.684 -1.606 . . . . 20.0 112.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -55.3 -52.73 62.52 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.255 1.206 . . . . 20.0 114.255 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.3 m -54.26 -54.66 37.06 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 118.639 -1.225 . . . . 20.0 109.491 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.77 -56.28 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 115.164 -0.925 . . . . 20.0 111.68 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -52.88 -51.28 61.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.594 -0.843 . . . . 20.0 112.221 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -57.35 -48.84 77.97 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.247 -0.981 . . . . 20.0 112.062 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -56.66 -51.5 68.51 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.969 0.729 . . . . 20.0 112.969 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.44 -48.34 34.5 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 117.127 2.269 . . . . 20.0 117.127 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -128.12 158.52 37.79 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.529 0.68 . . . . 20.0 112.092 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -79.3 76.48 5.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.857 -1.52 . . . . 20.0 110.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -158.78 148.85 19.51 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.12 -1.437 . . . . 20.0 107.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -103.88 -28.07 11.82 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.633 -1.167 . . . . 20.0 111.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -70.55 125.36 26.58 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.183 -0.917 . . . . 20.0 113.346 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.88 139.37 6.32 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.982 -1.104 . . . . 20.0 111.358 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.98 174.19 11.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.621 -1.622 . . . . 20.0 106.621 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 54.0 t -137.73 145.81 42.95 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.544 -1.262 . . . . 20.0 113.08 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.77 148.21 28.74 Favored 'General case' 0 C--N 1.305 -1.349 1 N-CA-C 99.96 -4.089 . . . . 20.0 99.96 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.44 -28.79 0.6 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.988 1.43 . . . . 20.0 112.035 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -74.2 -52.18 13.22 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.215 -0.994 . . . . 20.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -165.95 178.45 6.44 Favored 'General case' 0 N--CA 1.504 2.225 0 C-N-CA 120.414 -0.514 . . . . 20.0 110.696 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 48.7 t -87.87 160.31 18.03 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.669 -0.813 . . . . 20.0 111.203 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 39.9 ttm180 -148.33 140.48 24.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.786 -1.561 . . . . 20.0 106.786 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.304 -1.407 0 N-CA-C 106.174 -1.787 . . . . 20.0 106.174 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 113.494 0.924 . . . . 20.0 113.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -142.09 136.93 30.62 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.493 -1.669 . . . . 20.0 106.493 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.45 38.66 0.69 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 115.783 -0.644 . . . . 20.0 111.03 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.454 HG11 HG21 ' A' ' 16' ' ' VAL . 55.7 t -99.15 120.83 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-N 114.294 -1.321 . . . . 20.0 109.586 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -76.19 165.73 24.47 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.985 -1.086 . . . . 20.0 108.412 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.97 134.42 9.6 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.015 -1.074 . . . . 20.0 113.859 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -99.0 -30.78 12.15 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 114.608 -1.178 . . . . 20.0 109.753 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -136.73 138.68 41.23 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.914 -1.039 . . . . 20.0 110.693 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.2 p -47.3 -30.11 2.92 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.84 2.163 . . . . 20.0 116.84 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -56.23 -27.64 55.58 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.907 0.861 . . . . 20.0 111.45 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -63.47 -52.7 60.24 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.53 1.157 . . . . 20.0 110.178 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.49 -38.49 59.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.154 -1.839 . . . . 20.0 113.641 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -58.84 -56.45 22.1 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.068 -1.453 . . . . 20.0 112.513 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -49.68 -50.29 44.23 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.491 -1.283 . . . . 20.0 110.266 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 HG11 ' A' ' 5' ' ' VAL . 70.2 t -56.63 -55.05 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 113.624 0.972 . . . . 20.0 113.624 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.536 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 59.3 m -50.83 -41.28 57.46 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -46.23 66.17 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.212 -0.995 . . . . 20.0 112.572 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -57.76 -61.16 2.72 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.759 2.503 . . . . 20.0 117.759 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.658 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 65.5 mt -84.47 -27.46 27.46 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 113.82 1.044 . . . . 20.0 113.82 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.658 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.93 179.74 3.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 124.727 1.267 . . . . 20.0 111.832 -178.872 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -131.16 65.28 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.928 -1.508 . . . . 20.0 106.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 24' ' ' SER . 10.1 t -142.11 -139.41 0.12 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.183 -2.28 . . . . 20.0 106.372 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 23' ' ' THR . 25.7 t -167.78 -49.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.8 0.809 . . . . 20.0 109.787 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.65 118.76 9.36 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.415 -1.72 . . . . 20.0 112.605 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -156.6 156.39 27.1 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.783 -1.727 . . . . 20.0 108.783 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -155.52 171.47 19.87 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.364 -0.935 . . . . 20.0 109.306 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.61 139.62 48.86 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 118.541 2.793 . . . . 20.0 118.541 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 31.3 mtp -116.25 149.34 39.35 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 102.532 -3.136 . . . . 20.0 102.532 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -39.43 -30.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 125.857 1.973 . . . . 20.0 113.107 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -79.96 -51.33 9.21 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.925 -1.11 . . . . 20.0 112.29 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -170.33 -177.12 2.37 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.891 -0.781 . . . . 20.0 108.891 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.4 t -87.97 151.97 22.4 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.716 -1.194 . . . . 20.0 110.503 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 ttm180 -138.56 142.18 39.24 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.687 -1.968 . . . . 20.0 105.687 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 106.282 -1.747 . . . . 20.0 106.282 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.392 0.615 . . . . 20.0 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -140.08 143.86 36.51 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.261 -2.126 . . . . 20.0 105.261 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -81.14 25.4 0.48 Allowed 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.385 -0.926 . . . . 20.0 111.985 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -87.75 119.79 35.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 115.134 -0.939 . . . . 20.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -80.83 -172.0 3.45 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.75 157.57 29.63 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 117.537 -1.665 . . . . 20.0 111.189 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 p -93.77 -32.97 13.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.606 -1.257 . . . . 20.0 107.606 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -146.82 -69.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.133 -0.94 . . . . 20.0 111.832 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.9 p -174.9 -26.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.483 0.659 . . . . 20.0 111.891 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -50.66 -26.65 5.7 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.697 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.53 -48.29 56.23 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.2 -0.909 . . . . 20.0 112.216 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 49.2 m -54.37 -40.34 68.04 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 117.655 -1.618 . . . . 20.0 113.561 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -47.11 -65.63 0.53 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 124.916 1.385 . . . . 20.0 113.773 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 m -55.16 -46.83 75.75 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.809 -1.156 . . . . 20.0 111.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.25 -56.36 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 113.444 0.905 . . . . 20.0 113.444 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 83.9 m -50.35 -47.02 56.14 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.673 0.749 . . . . 20.0 110.377 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' H ' ' A' ' 23' ' ' THR . 17.7 tt0 -66.93 -45.99 76.17 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.213 -1.395 . . . . 20.0 113.572 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -62.39 -52.85 61.96 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 117.08 2.252 . . . . 20.0 117.08 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 79.1 mt -86.96 -30.99 20.89 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 115.683 1.735 . . . . 20.0 115.683 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.704 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -104.71 -24.99 12.86 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 115.631 1.715 . . . . 20.0 115.631 -178.586 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t30 63.37 66.99 0.68 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.635 1.207 . . . . 20.0 108.8 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.427 ' H ' ' HA ' ' A' ' 18' ' ' GLN . 9.7 t -157.9 149.84 21.98 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.705 -2.043 . . . . 20.0 105.878 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -87.37 -43.75 11.89 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 120.035 -0.666 . . . . 20.0 112.196 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -64.38 124.59 22.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 115.656 1.725 . . . . 20.0 115.656 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -165.33 154.54 25.33 Favored Glycine 0 N--CA 1.486 2.032 0 CA-C-N 112.775 -2.011 . . . . 20.0 109.095 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -158.1 171.31 20.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 109.112 -0.699 . . . . 20.0 109.112 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 33.9 t -140.94 145.75 36.47 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.534 2.05 . . . . 20.0 116.534 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtt -105.21 152.13 23.23 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.45 -2.796 . . . . 20.0 103.45 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -42.36 -31.84 0.45 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 125.461 1.726 . . . . 20.0 111.068 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.67 -58.98 3.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.062 -1.426 . . . . 20.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.41 176.1 7.68 Favored 'General case' 0 N--CA 1.503 2.207 0 C-N-CA 119.911 -0.716 . . . . 20.0 112.041 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 7.8 t -81.74 148.46 28.92 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.845 -1.07 . . . . 20.0 111.291 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 38.5 ttm180 -142.21 143.95 33.15 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.945 -1.131 . . . . 20.0 107.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--N 1.304 -1.412 0 O-C-N 123.644 0.59 . . . . 20.0 109.85 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.577 0.954 . . . . 20.0 113.577 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -141.06 144.42 34.95 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.098 -1.445 . . . . 20.0 107.098 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -82.61 9.91 8.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.32 128.93 37.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 113.984 1.105 . . . . 20.0 113.984 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -82.68 168.7 16.99 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.98 -1.489 . . . . 20.0 106.98 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.56 150.98 19.96 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 118.665 -1.214 . . . . 20.0 112.678 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -117.01 -25.01 7.35 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 124.463 1.102 . . . . 20.0 108.183 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.0 p -141.73 139.65 32.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 115.084 -0.962 . . . . 20.0 108.447 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -56.84 -20.0 20.48 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.271 1.212 . . . . 20.0 114.271 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.4 -29.83 64.42 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.643 0.735 . . . . 20.0 109.559 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -76.03 -48.01 22.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.802 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m -50.83 -43.24 59.05 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 114.252 -1.34 . . . . 20.0 113.048 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -59.25 -54.66 44.34 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.713 1.375 . . . . 20.0 114.713 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -51.51 -50.7 59.42 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 118.659 -1.216 . . . . 20.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.48 -60.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 114.623 -1.171 . . . . 20.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -49.89 -50.84 44.48 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.668 -0.813 . . . . 20.0 111.792 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -54.3 -56.73 15.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.355 0.872 . . . . 20.0 113.355 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -49.41 72.1 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.641 0.978 . . . . 20.0 113.641 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.87 -48.77 43.55 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.933 2.197 . . . . 20.0 116.933 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -129.23 157.39 41.97 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.3 0.572 . . . . 20.0 110.935 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.2 77.74 4.69 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.001 -1.0 . . . . 20.0 109.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -158.31 146.65 18.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.86 -1.163 . . . . 20.0 107.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.3 m -104.88 -36.42 7.37 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.288 -1.324 . . . . 20.0 110.705 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -62.29 127.37 31.02 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.485 -0.779 . . . . 20.0 110.794 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.92 144.63 10.08 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.523 -1.431 . . . . 20.0 109.523 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -154.01 161.44 41.95 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.431 -0.581 . . . . 20.0 109.431 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.07 136.55 48.39 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 116.976 2.213 . . . . 20.0 116.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.8 ttt -110.68 144.99 38.76 Favored 'General case' 0 N--CA 1.496 1.853 1 N-CA-C 99.724 -4.176 . . . . 20.0 99.724 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -44.42 -23.94 0.15 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 114.429 1.27 . . . . 20.0 114.429 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -80.77 -50.19 10.17 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.797 -1.092 . . . . 20.0 111.173 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.8 -177.55 3.07 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.667 -1.235 . . . . 20.0 107.667 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.5 t -86.79 152.04 22.85 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.776 -1.17 . . . . 20.0 111.289 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 30.2 ttp180 -134.81 143.57 47.14 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.464 -1.31 . . . . 20.0 107.464 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 104.971 -2.233 . . . . 20.0 104.971 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.541 0.686 . . . . 20.0 112.122 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.5 p -140.59 140.12 35.07 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 105.281 -2.118 . . . . 20.0 105.281 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -80.62 10.1 5.26 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 118.979 -1.088 . . . . 20.0 109.528 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -77.99 127.69 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 114.987 -1.006 . . . . 20.0 112.294 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -88.87 166.75 13.76 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 105.794 -1.928 . . . . 20.0 105.794 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 3.4 p -159.48 154.8 25.41 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.822 -1.951 . . . . 20.0 113.397 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -117.51 -12.96 10.31 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.169 -1.832 . . . . 20.0 107.672 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -148.33 139.46 23.27 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.399 1.095 . . . . 20.0 112.81 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -59.69 -28.8 67.62 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.786 -1.097 . . . . 20.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -52.3 -42.22 63.59 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.488 -0.885 . . . . 20.0 109.254 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.78 -43.63 75.34 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.95 -1.023 . . . . 20.0 112.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -50.17 -45.97 53.78 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.315 -1.354 . . . . 20.0 111.717 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -53.61 -59.45 4.59 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.804 1.409 . . . . 20.0 114.804 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -48.96 -53.16 20.97 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.569 -1.252 . . . . 20.0 110.291 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.57 -57.23 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 C-N-CA 119.064 -1.054 . . . . 20.0 111.928 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -47.02 -54.95 9.09 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.886 -0.597 . . . . 20.0 112.57 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.0 -50.09 71.83 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 123.834 0.709 . . . . 20.0 112.842 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.29 -48.5 81.47 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.104 -1.038 . . . . 20.0 113.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.88 -50.31 57.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 114.92 1.452 . . . . 20.0 114.92 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -134.02 168.76 18.22 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.338 -0.945 . . . . 20.0 109.422 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -81.75 72.34 8.8 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.286 -1.005 . . . . 20.0 108.286 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.2 p -120.45 -162.5 0.95 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.598 -1.26 . . . . 20.0 107.598 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 p -162.3 -54.81 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 118.567 -1.253 . . . . 20.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -78.43 143.18 36.98 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.01 -1.076 . . . . 20.0 108.439 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.27 147.01 14.19 Favored Glycine 0 N--CA 1.488 2.114 0 C-N-CA 118.914 -1.613 . . . . 20.0 109.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.8 mtpt -134.89 167.09 21.53 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.038 -0.727 . . . . 20.0 109.038 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.22 127.86 48.35 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 114.527 1.306 . . . . 20.0 114.527 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -106.67 145.24 32.23 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 102.089 -3.3 . . . . 20.0 102.089 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -44.9 -28.18 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 125.362 1.664 . . . . 20.0 110.125 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -74.53 -55.56 5.79 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.741 -1.184 . . . . 20.0 109.7 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -166.94 179.67 5.14 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.509 -0.876 . . . . 20.0 109.576 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 42.3 t -88.7 158.85 18.07 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.815 -1.554 . . . . 20.0 107.588 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 40.3 ttp180 -143.07 133.22 24.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 104.584 -2.376 . . . . 20.0 104.584 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.3 -1.565 0 C-N-CA 119.013 -1.075 . . . . 20.0 110.228 -179.592 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 112.859 0.689 . . . . 20.0 112.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 p -119.76 154.62 33.92 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.182 -1.784 . . . . 20.0 106.182 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.21 17.83 1.92 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.363 0.601 . . . . 20.0 109.866 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.0 114.54 24.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 116.714 2.116 . . . . 20.0 116.714 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -71.26 160.12 33.39 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.266 -1.383 . . . . 20.0 107.266 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.1 p -156.04 167.44 30.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.775 -1.17 . . . . 20.0 112.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.34 -34.29 0.86 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 113.3 -1.773 . . . . 20.0 107.975 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -120.0 137.43 54.09 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 115.398 -0.819 . . . . 20.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -60.53 -24.59 65.47 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 114.66 1.356 . . . . 20.0 114.66 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -58.38 -20.66 45.87 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -74.92 -45.78 40.24 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.852 1.056 . . . . 20.0 113.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m -54.12 -38.12 65.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 118.547 -1.261 . . . . 20.0 111.45 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -48.18 -68.94 0.14 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.248 0.833 . . . . 20.0 113.248 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 m -50.37 -51.04 49.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.872 -0.731 . . . . 20.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.13 -59.21 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 114.39 -1.277 . . . . 20.0 112.483 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.0 m -55.23 -49.5 71.83 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.414 -0.812 . . . . 20.0 112.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.26 -52.22 53.91 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.819 -0.753 . . . . 20.0 112.773 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.41 -51.57 68.19 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.365 1.246 . . . . 20.0 114.365 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.14 -45.25 81.7 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.642 1.719 . . . . 20.0 115.642 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -120.89 -124.86 0.27 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.918 -0.583 . . . . 20.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.1 62.01 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 122.033 0.92 . . . . 20.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.7 p -123.15 -151.12 0.47 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.94 -1.482 . . . . 20.0 107.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -169.12 -42.63 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 114.939 -1.028 . . . . 20.0 108.436 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -74.51 129.93 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 113.883 -1.508 . . . . 20.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.01 167.89 35.55 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 120.104 -1.046 . . . . 20.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -143.91 173.64 11.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.999 -1.111 . . . . 20.0 107.999 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 t -132.11 125.28 30.95 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.49 1.663 . . . . 20.0 115.49 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.15 149.61 28.29 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 102.968 -2.975 . . . . 20.0 102.968 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -43.15 -29.31 0.36 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.821 1.326 . . . . 20.0 112.245 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.69 -49.43 12.1 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.544 -1.207 . . . . 20.0 112.417 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -161.61 168.11 24.06 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.334 -0.946 . . . . 20.0 112.121 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -83.61 143.58 30.02 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 100.986 -3.709 . . . . 20.0 100.986 179.607 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -130.57 144.31 51.33 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.844 -0.535 . . . . 20.0 110.623 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.5 2.044 0 O-C-N 123.945 0.778 . . . . 20.0 109.964 -179.72 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 113.676 0.991 . . . . 20.0 113.676 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -145.1 141.97 29.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.798 -1.556 . . . . 20.0 106.798 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.31 18.48 1.12 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.813 -0.755 . . . . 20.0 111.988 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -86.84 130.79 36.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -86.07 179.13 7.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.569 -0.852 . . . . 20.0 108.945 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -148.19 177.78 9.11 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 118.149 -1.421 . . . . 20.0 114.07 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 p -144.67 -45.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 111.734 -2.485 . . . . 20.0 104.947 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.9 p -128.74 135.79 49.68 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.058 -1.09 . . . . 20.0 108.058 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -51.57 -21.27 2.41 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 115.698 1.74 . . . . 20.0 115.698 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -61.9 -20.78 64.13 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.653 -0.819 . . . . 20.0 111.345 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.71 -51.21 61.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 116.136 1.902 . . . . 20.0 116.136 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -56.72 -34.55 67.6 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 117.548 -1.661 . . . . 20.0 111.832 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -53.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.596 -1.642 . . . . 20.0 113.43 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.1 p -50.18 -48.57 54.01 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.446 -1.302 . . . . 20.0 111.808 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -53.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.24 -0.984 . . . . 20.0 113.339 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 23.3 m -57.17 -45.2 83.85 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.645 -0.822 . . . . 20.0 111.278 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.46 -50.01 72.96 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.842 -1.143 . . . . 20.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -57.09 -54.51 45.93 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.968 -1.093 . . . . 20.0 113.194 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.61 -53.89 14.17 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 116.751 2.13 . . . . 20.0 116.751 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -117.54 -179.94 3.88 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 115.936 -0.575 . . . . 20.0 111.196 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -105.11 73.91 1.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.239 -0.891 . . . . 20.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 p -132.75 -154.64 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.938 -1.134 . . . . 20.0 107.938 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.2 p -165.61 -45.6 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.155 -1.054 . . . . 20.0 108.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -70.71 139.66 51.23 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 20.0 111.641 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.01 161.26 33.16 Favored Glycine 0 N--CA 1.485 1.926 0 C-N-CA 119.084 -1.532 . . . . 20.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 26.3 pttt -159.23 -173.05 4.0 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.926 -1.509 . . . . 20.0 106.926 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.9 t -143.38 151.36 40.32 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.334 -1.747 . . . . 20.0 113.374 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.0 mtp -113.55 153.01 29.49 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 103.833 -2.655 . . . . 20.0 103.833 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -43.07 -31.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 125.194 1.558 . . . . 20.0 112.103 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -75.14 -49.06 20.79 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.816 -1.153 . . . . 20.0 112.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -163.68 178.6 7.78 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.531 -0.868 . . . . 20.0 111.824 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 150.44 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 104.065 -2.569 . . . . 20.0 104.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -142.42 140.24 31.9 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.422 -0.911 . . . . 20.0 108.814 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.491 1.598 0 O-C-N 124.003 0.814 . . . . 20.0 111.018 -179.703 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.603 0.239 . . . . 20.0 111.285 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.9 p -128.58 147.45 50.71 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.131 -1.803 . . . . 20.0 106.131 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.24 33.11 0.34 Allowed 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.834 -0.746 . . . . 20.0 111.432 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.33 119.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -75.9 162.58 27.99 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.039 -1.464 . . . . 20.0 107.63 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.2 p -158.08 178.5 10.14 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.763 -1.175 . . . . 20.0 112.507 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.2 p -139.83 -37.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 112.689 -2.05 . . . . 20.0 108.379 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -119.72 136.17 54.54 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.646 0.736 . . . . 20.0 109.023 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -58.22 -22.87 53.79 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.193 1.924 . . . . 20.0 116.193 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -61.63 -19.12 61.92 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.3 -0.96 . . . . 20.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -68.79 -55.0 12.63 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 114.768 -1.105 . . . . 20.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -54.32 -34.7 61.57 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.697 -1.138 . . . . 20.0 111.055 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -51.43 -71.52 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.222 -0.991 . . . . 20.0 111.801 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -45.33 -48.58 13.22 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.752 0.787 . . . . 20.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -55.49 -58.48 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-N 114.909 -1.041 . . . . 20.0 113.373 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.46 -31.38 70.38 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.518 -0.873 . . . . 20.0 113.209 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.7 -44.92 80.4 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.034 -1.466 . . . . 20.0 109.555 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.46 -49.91 67.36 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.538 -0.865 . . . . 20.0 111.601 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 10.9 mp -68.71 -60.2 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.963 1.097 . . . . 20.0 113.963 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 20' ' ' LEU . 7.8 m-70 -106.75 -154.1 0.51 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.452 -1.249 . . . . 20.0 110.47 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -141.52 65.29 1.38 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.393 -1.336 . . . . 20.0 107.393 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.5 p -120.7 -156.92 0.7 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.081 -1.418 . . . . 20.0 109.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -163.14 -52.07 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 114.655 -1.157 . . . . 20.0 109.579 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 25' ' ' ARG . 46.1 mtt85 -66.23 115.49 6.26 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 114.402 -1.272 . . . . 20.0 110.808 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.78 163.66 31.84 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 118.891 -1.624 . . . . 20.0 110.679 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -157.62 173.0 17.52 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 114.709 -0.746 . . . . 20.0 110.732 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.8 t -120.12 132.52 55.44 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.873 1.805 . . . . 20.0 115.873 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 148.62 34.75 Favored 'General case' 0 N--CA 1.489 1.505 1 N-CA-C 99.674 -4.195 . . . . 20.0 99.674 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -44.94 -31.81 1.4 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.293 0.996 . . . . 20.0 112.476 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.78 -51.18 36.1 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.902 -1.119 . . . . 20.0 111.443 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -165.69 175.55 8.74 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 119.452 -0.899 . . . . 20.0 111.767 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -92.43 142.5 27.35 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 104.769 -2.308 . . . . 20.0 104.769 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -151.34 157.72 42.85 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 118.73 -1.188 . . . . 20.0 109.674 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 119.228 -0.989 . . . . 20.0 110.032 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 114.283 1.216 . . . . 20.0 114.283 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.7 152.58 20.14 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 114.168 1.173 . . . . 20.0 114.168 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.7 p -137.64 147.23 44.77 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 104.808 -2.293 . . . . 20.0 104.808 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -80.85 12.91 2.91 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.275 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.36 125.22 40.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.099 -0.955 . . . . 20.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -83.94 -169.45 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.467 -1.679 . . . . 20.0 106.467 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.05 -178.71 7.5 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 117.076 -1.85 . . . . 20.0 112.702 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -145.86 -45.5 0.21 Allowed 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 112.044 -2.343 . . . . 20.0 105.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -133.33 135.49 44.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.157 -1.423 . . . . 20.0 107.157 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -47.85 -22.08 0.51 Allowed 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 115.062 1.505 . . . . 20.0 115.062 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -48.85 -35.52 14.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.646 1.213 . . . . 20.0 110.323 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.37 -52.61 37.98 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 117.073 2.249 . . . . 20.0 117.073 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 m -54.06 -37.85 64.63 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 117.204 -1.798 . . . . 20.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -49.94 -67.38 0.26 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 116.325 1.972 . . . . 20.0 116.325 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 m -58.29 -41.49 84.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.529 -1.268 . . . . 20.0 111.134 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -57.25 -56.3 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 118.392 -1.323 . . . . 20.0 109.663 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 61.4 m -52.59 -57.61 9.43 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 114.099 1.148 . . . . 20.0 114.099 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -58.51 -34.06 70.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.206 -0.998 . . . . 20.0 113.231 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.7 -50.45 24.76 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.439 -1.304 . . . . 20.0 111.116 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.24 -48.48 78.06 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.414 1.635 . . . . 20.0 115.414 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -126.33 172.98 9.67 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.257 -0.883 . . . . 20.0 108.822 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.43 74.18 9.42 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.833 -1.173 . . . . 20.0 107.833 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -138.55 -166.61 2.03 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.581 -1.19 . . . . 20.0 107.868 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 18' ' ' GLN . 61.8 m -165.02 -48.38 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.396 1.685 . . . . 20.0 107.306 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -68.88 127.89 34.72 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.424 -2.171 . . . . 20.0 111.481 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.77 159.7 28.43 Favored Glycine 0 N--CA 1.481 1.679 0 CA-C-N 113.621 -1.627 . . . . 20.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -160.59 144.59 13.84 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.072 -1.455 . . . . 20.0 107.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -103.78 155.79 18.33 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 115.898 1.814 . . . . 20.0 115.898 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 43.0 tpp -122.62 149.61 43.76 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 102.891 -3.003 . . . . 20.0 102.891 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -43.06 -30.83 0.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.681 1.238 . . . . 20.0 112.464 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -73.99 -51.86 14.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.85 -1.14 . . . . 20.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -161.86 178.64 8.74 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 118.79 -1.164 . . . . 20.0 110.601 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.82 152.04 27.1 Favored 'General case' 0 C--N 1.295 -1.765 1 N-CA-C 99.536 -4.246 . . . . 20.0 99.536 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -138.13 149.68 46.13 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.988 -1.115 . . . . 20.0 107.988 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.13 156.96 18.72 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 124.101 0.875 . . . . 20.0 111.624 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -136.78 154.48 50.54 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.368 -1.742 . . . . 20.0 107.484 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.301 -1.52 0 CA-C-O 116.237 -1.839 . . . . 20.0 107.333 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.454 0.909 . . . . 20.0 113.454 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.36 144.72 27.45 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 120.189 -0.604 . . . . 20.0 111.951 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.4 p -122.3 149.45 43.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.567 -2.012 . . . . 20.0 105.567 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -82.52 28.05 0.49 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.267 0.556 . . . . 20.0 110.376 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.31 126.12 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 115.084 -0.962 . . . . 20.0 113.361 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -93.09 131.43 38.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 105.017 -2.216 . . . . 20.0 105.017 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.82 174.75 6.95 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 118.815 -1.154 . . . . 20.0 112.721 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.0 p -104.99 -35.5 7.64 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 104.991 -2.226 . . . . 20.0 104.991 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -152.88 -60.4 0.15 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.942 -1.481 . . . . 20.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.1 p -177.96 -29.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.23 0.538 . . . . 20.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -47.8 -31.73 5.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.73 -61.52 2.36 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.302 -1.317 . . . . 20.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -50.24 -34.66 23.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 115.981 1.845 . . . . 20.0 115.981 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -54.23 -69.07 0.13 Allowed 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.56 -1.656 . . . . 20.0 112.842 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 m -52.64 -45.79 66.82 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 120.09 -0.644 . . . . 20.0 111.939 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.57 -57.76 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.191 -0.604 . . . . 20.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 79.5 m -50.17 -50.77 48.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.386 -0.824 . . . . 20.0 111.737 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -57.03 -48.65 77.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.664 -1.153 . . . . 20.0 113.555 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.46 -45.22 73.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.517 1.302 . . . . 20.0 114.517 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.3 -44.12 63.18 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.01 2.226 . . . . 20.0 117.01 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -128.86 8.9 5.77 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 114.191 1.182 . . . . 20.0 114.191 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 50.51 78.92 0.09 Allowed 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 122.795 1.283 . . . . 20.0 112.037 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 p -134.82 -157.43 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.607 -2.088 . . . . 20.0 108.837 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -150.15 -41.01 0.13 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.004 -0.998 . . . . 20.0 111.261 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -83.94 109.25 17.46 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.378 -0.929 . . . . 20.0 110.224 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.18 148.5 19.82 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 106.803 -2.519 . . . . 20.0 106.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -156.7 -177.4 6.58 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.431 -0.907 . . . . 20.0 108.617 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 7.3 t -153.35 141.65 20.58 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 116.585 2.069 . . . . 20.0 116.585 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 33.0 ttm -94.68 152.51 18.42 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 103.188 -2.893 . . . . 20.0 103.188 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.63 -30.04 0.85 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 125.072 1.482 . . . . 20.0 111.058 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.8 -52.09 9.46 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.679 -1.146 . . . . 20.0 109.606 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -165.28 166.56 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 115.743 1.757 . . . . 20.0 115.743 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.81 143.76 32.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 111.966 -2.379 . . . . 20.0 110.383 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.3 ptp180 -147.29 157.19 43.5 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.05 -1.432 . . . . 20.0 108.593 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.2 m -119.06 148.74 42.69 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.034 -0.985 . . . . 20.0 111.716 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -117.6 163.08 16.99 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.799 -1.926 . . . . 20.0 105.799 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 116.978 -1.486 . . . . 20.0 113.067 -179.741 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 107.585 -1.265 . . . . 20.0 107.585 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -91.1 157.87 16.98 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.824 0.821 . . . . 20.0 112.046 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -145.55 135.64 23.77 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.103 -1.814 . . . . 20.0 106.103 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -83.07 17.57 1.93 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 115.438 -0.801 . . . . 20.0 110.272 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -85.2 125.83 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 115.417 -0.81 . . . . 20.0 112.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -83.7 165.02 19.27 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 105.965 -1.865 . . . . 20.0 105.965 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p -160.11 150.15 18.27 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.625 -1.63 . . . . 20.0 114.016 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -109.05 -37.67 5.76 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.973 -1.467 . . . . 20.0 108.797 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.0 p -125.98 137.35 53.67 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.536 -1.211 . . . . 20.0 110.29 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -58.21 -21.86 49.54 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.34 -0.845 . . . . 20.0 112.33 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -50.77 -41.47 56.84 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.899 1.333 . . . . 20.0 109.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -69.74 -45.01 69.09 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.271 -1.786 . . . . 20.0 112.646 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -51.34 -43.03 61.67 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.357 -1.337 . . . . 20.0 111.681 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -55.93 -61.22 2.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 114.257 1.206 . . . . 20.0 114.257 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -48.35 -48.74 36.23 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.943 -1.103 . . . . 20.0 110.411 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.13 -60.92 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-N 115.391 -0.822 . . . . 20.0 112.821 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.5 m -50.89 -48.54 60.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.375 -0.93 . . . . 20.0 112.361 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -56.84 -51.42 69.1 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.95 -46.26 90.1 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.223 -0.991 . . . . 20.0 113.232 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.32 -51.51 51.62 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 114.055 1.131 . . . . 20.0 114.055 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.8 160.88 33.08 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.215 -0.594 . . . . 20.0 110.926 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -73.29 85.79 1.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.487 -1.301 . . . . 20.0 107.487 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 p -137.58 -164.52 1.62 Allowed 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.053 -0.976 . . . . 20.0 110.16 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -169.21 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.337 -1.756 . . . . 20.0 106.388 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -80.71 111.73 17.42 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.388 -1.278 . . . . 20.0 112.389 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.9 158.22 27.57 Favored Glycine 0 N--CA 1.486 2.013 0 CA-C-N 114.202 -1.363 . . . . 20.0 109.74 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 164.87 38.21 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 114.786 -0.707 . . . . 20.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -108.01 136.01 48.41 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.637 1.717 . . . . 20.0 115.637 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.7 mmm -114.02 150.53 33.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 101.853 -3.388 . . . . 20.0 101.853 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.41 -25.6 0.15 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 125.375 1.672 . . . . 20.0 114.157 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -85.69 -49.03 8.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.267 -0.973 . . . . 20.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -170.91 -179.91 2.94 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.624 -0.831 . . . . 20.0 109.125 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.8 t -85.48 156.13 20.93 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 118.012 -1.475 . . . . 20.0 109.12 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 43.2 ttm180 -145.17 145.41 31.34 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.425 -1.324 . . . . 20.0 107.425 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 m -116.65 155.92 27.96 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 104.793 -2.299 . . . . 20.0 104.793 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -107.79 -49.57 3.2 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.812 1.412 . . . . 20.0 114.812 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 116.999 -1.477 . . . . 20.0 110.659 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 108.799 -0.815 . . . . 20.0 108.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -80.75 150.68 29.18 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 116.688 2.107 . . . . 20.0 116.688 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -134.12 149.16 51.07 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 101.529 -3.508 . . . . 20.0 101.529 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.48 18.35 1.2 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.423 -1.311 . . . . 20.0 111.765 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.18 122.73 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 115.264 1.579 . . . . 20.0 115.264 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -86.41 -173.32 4.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.42 -1.696 . . . . 20.0 106.42 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -156.84 -175.61 5.52 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.896 -1.922 . . . . 20.0 113.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -140.17 -42.29 0.42 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 110.665 -2.971 . . . . 20.0 105.157 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -137.68 138.93 39.9 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.923 -1.139 . . . . 20.0 107.923 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -54.66 -18.07 4.12 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.842 1.053 . . . . 20.0 113.842 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -52.11 -33.47 39.83 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.389 1.09 . . . . 20.0 108.712 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -68.06 -49.47 61.16 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.354 -1.294 . . . . 20.0 113.067 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 68.4 m -51.19 -41.01 59.93 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.775 -1.17 . . . . 20.0 113.592 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -55.65 -61.56 2.27 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.631 -1.228 . . . . 20.0 112.465 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 m -50.16 -50.94 47.4 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.521 -1.272 . . . . 20.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -53.36 -60.93 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 115.381 -0.827 . . . . 20.0 113.073 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.6 m -51.18 -45.46 61.78 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.394 -0.821 . . . . 20.0 112.734 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -59.72 -52.32 66.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.134 -1.026 . . . . 20.0 111.76 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -53.15 58.49 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.704 0.764 . . . . 20.0 112.294 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.23 -54.52 14.34 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 116.756 2.132 . . . . 20.0 116.756 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -120.62 160.22 23.69 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.617 -0.72 . . . . 20.0 112.265 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -83.08 71.39 10.14 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.049 -0.978 . . . . 20.0 108.637 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.9 p -124.06 -161.79 1.02 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.138 -0.937 . . . . 20.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.0 t -158.1 -46.48 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.205 -1.362 . . . . 20.0 109.238 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -81.06 144.76 31.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.93 -1.032 . . . . 20.0 108.406 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.47 146.04 10.97 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.455 -1.858 . . . . 20.0 108.455 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -147.89 175.36 11.02 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 t -150.86 133.29 15.54 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.24 -1.384 . . . . 20.0 113.964 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 tpp -93.05 155.43 17.52 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 102.805 -3.035 . . . . 20.0 102.805 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -43.67 -29.85 0.55 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 126.012 2.07 . . . . 20.0 109.419 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.12 -61.38 1.88 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.348 -1.296 . . . . 20.0 108.7 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -168.59 175.23 6.28 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.174 -0.611 . . . . 20.0 112.628 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 51.6 t -87.19 152.16 22.56 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 122.322 1.058 . . . . 20.0 112.515 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 11.2 ptt180 -148.34 140.85 24.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -89.09 162.67 15.85 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 114.639 -1.164 . . . . 20.0 110.796 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -131.37 152.38 50.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.739 -1.119 . . . . 20.0 110.311 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.304 -1.373 0 CA-C-O 116.533 -1.699 . . . . 20.0 109.367 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 113.888 1.07 . . . . 20.0 113.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -88.92 151.6 22.23 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 115.152 -0.931 . . . . 20.0 111.404 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 p -144.81 131.98 20.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 105.976 -1.861 . . . . 20.0 105.976 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -82.42 9.85 8.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.554 -1.203 . . . . 20.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -75.59 134.12 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-N 114.812 -1.086 . . . . 20.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -91.92 -178.99 5.18 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.205 -1.406 . . . . 20.0 107.205 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 p -152.87 -168.23 2.98 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 117.235 -1.786 . . . . 20.0 113.567 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -146.7 -43.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 112.316 -2.22 . . . . 20.0 106.137 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -142.45 140.98 32.12 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.019 -1.104 . . . . 20.0 108.019 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -49.64 -21.91 1.16 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 113.787 1.032 . . . . 20.0 113.787 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -51.94 -34.87 43.89 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.09 0.947 . . . . 20.0 109.798 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -75.46 -40.21 57.74 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 114.534 -1.212 . . . . 20.0 113.081 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 36.7 m -54.92 -42.57 72.4 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 117.684 -1.606 . . . . 20.0 112.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -55.3 -52.73 62.52 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.255 1.206 . . . . 20.0 114.255 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.3 m -54.26 -54.66 37.06 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 118.639 -1.225 . . . . 20.0 109.491 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.77 -56.28 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 115.164 -0.925 . . . . 20.0 111.68 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -52.88 -51.28 61.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.594 -0.843 . . . . 20.0 112.221 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -57.35 -48.84 77.97 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.247 -0.981 . . . . 20.0 112.062 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -56.66 -51.5 68.51 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.969 0.729 . . . . 20.0 112.969 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.44 -48.34 34.5 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 117.127 2.269 . . . . 20.0 117.127 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -128.12 158.52 37.79 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.529 0.68 . . . . 20.0 112.092 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -79.3 76.48 5.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.857 -1.52 . . . . 20.0 110.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -158.78 148.85 19.51 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.12 -1.437 . . . . 20.0 107.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -103.88 -28.07 11.82 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.633 -1.167 . . . . 20.0 111.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -70.55 125.36 26.58 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.183 -0.917 . . . . 20.0 113.346 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.88 139.37 6.32 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.982 -1.104 . . . . 20.0 111.358 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.98 174.19 11.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.621 -1.622 . . . . 20.0 106.621 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 54.0 t -137.73 145.81 42.95 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.544 -1.262 . . . . 20.0 113.08 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.77 148.21 28.74 Favored 'General case' 0 C--N 1.305 -1.349 1 N-CA-C 99.96 -4.089 . . . . 20.0 99.96 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.44 -28.79 0.6 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.988 1.43 . . . . 20.0 112.035 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -74.2 -52.18 13.22 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.215 -0.994 . . . . 20.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -165.95 178.45 6.44 Favored 'General case' 0 N--CA 1.504 2.225 0 C-N-CA 120.414 -0.514 . . . . 20.0 110.696 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 48.7 t -87.87 160.31 18.03 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.669 -0.813 . . . . 20.0 111.203 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 39.9 ttm180 -148.33 140.48 24.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.786 -1.561 . . . . 20.0 106.786 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.8 m -112.41 171.4 7.54 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.174 -1.787 . . . . 20.0 106.174 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -130.0 170.77 13.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 124.203 0.939 . . . . 20.0 109.235 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 116.9 -1.524 . . . . 20.0 108.854 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 115.09 1.515 . . . . 20.0 115.09 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -91.41 149.92 21.49 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.114 -1.403 . . . . 20.0 113.494 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -142.09 136.93 30.62 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.493 -1.669 . . . . 20.0 106.493 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.45 38.66 0.69 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 115.783 -0.644 . . . . 20.0 111.03 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG11 HG21 ' A' ' 16' ' ' VAL . 55.7 t -99.15 120.83 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-N 114.294 -1.321 . . . . 20.0 109.586 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -76.19 165.73 24.47 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.985 -1.086 . . . . 20.0 108.412 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.97 134.42 9.6 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.015 -1.074 . . . . 20.0 113.859 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -99.0 -30.78 12.15 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 114.608 -1.178 . . . . 20.0 109.753 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -136.73 138.68 41.23 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.914 -1.039 . . . . 20.0 110.693 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.2 p -47.3 -30.11 2.92 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.84 2.163 . . . . 20.0 116.84 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -56.23 -27.64 55.58 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.907 0.861 . . . . 20.0 111.45 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -63.47 -52.7 60.24 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.53 1.157 . . . . 20.0 110.178 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.49 -38.49 59.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.154 -1.839 . . . . 20.0 113.641 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -58.84 -56.45 22.1 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.068 -1.453 . . . . 20.0 112.513 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -49.68 -50.29 44.23 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.491 -1.283 . . . . 20.0 110.266 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 HG11 ' A' ' 5' ' ' VAL . 70.2 t -56.63 -55.05 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 113.624 0.972 . . . . 20.0 113.624 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.536 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 59.3 m -50.83 -41.28 57.46 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -46.23 66.17 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.212 -0.995 . . . . 20.0 112.572 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -57.76 -61.16 2.72 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.759 2.503 . . . . 20.0 117.759 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.658 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 65.5 mt -84.47 -27.46 27.46 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 113.82 1.044 . . . . 20.0 113.82 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.658 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.93 179.74 3.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 124.727 1.267 . . . . 20.0 111.832 -178.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -131.16 65.28 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.928 -1.508 . . . . 20.0 106.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 24' ' ' SER . 10.1 t -142.11 -139.41 0.12 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.183 -2.28 . . . . 20.0 106.372 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 23' ' ' THR . 25.7 t -167.78 -49.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.8 0.809 . . . . 20.0 109.787 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.65 118.76 9.36 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.415 -1.72 . . . . 20.0 112.605 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -156.6 156.39 27.1 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.783 -1.727 . . . . 20.0 108.783 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -155.52 171.47 19.87 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.364 -0.935 . . . . 20.0 109.306 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.61 139.62 48.86 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 118.541 2.793 . . . . 20.0 118.541 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 31.3 mtp -116.25 149.34 39.35 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 102.532 -3.136 . . . . 20.0 102.532 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -39.43 -30.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 125.857 1.973 . . . . 20.0 113.107 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -79.96 -51.33 9.21 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.925 -1.11 . . . . 20.0 112.29 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -170.33 -177.12 2.37 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.891 -0.781 . . . . 20.0 108.891 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.4 t -87.97 151.97 22.4 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.716 -1.194 . . . . 20.0 110.503 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 ttm180 -138.56 142.18 39.24 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.687 -1.968 . . . . 20.0 105.687 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.55 160.01 27.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.282 -1.747 . . . . 20.0 106.282 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -111.24 157.03 20.58 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 123.868 0.73 . . . . 20.0 109.652 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 117.166 -1.397 . . . . 20.0 111.112 -179.835 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 109.452 -0.573 . . . . 20.0 109.452 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -102.56 145.82 29.05 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 120.13 -0.628 . . . . 20.0 112.34 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -140.08 143.86 36.51 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.261 -2.126 . . . . 20.0 105.261 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -81.14 25.4 0.48 Allowed 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.385 -0.926 . . . . 20.0 111.985 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -87.75 119.79 35.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 115.134 -0.939 . . . . 20.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -80.83 -172.0 3.45 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.75 157.57 29.63 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 117.537 -1.665 . . . . 20.0 111.189 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 p -93.77 -32.97 13.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.606 -1.257 . . . . 20.0 107.606 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -146.82 -69.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.133 -0.94 . . . . 20.0 111.832 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.9 p -174.9 -26.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.483 0.659 . . . . 20.0 111.891 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -50.66 -26.65 5.7 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.697 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.53 -48.29 56.23 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.2 -0.909 . . . . 20.0 112.216 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 49.2 m -54.37 -40.34 68.04 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 117.655 -1.618 . . . . 20.0 113.561 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -47.11 -65.63 0.53 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 124.916 1.385 . . . . 20.0 113.773 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 m -55.16 -46.83 75.75 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.809 -1.156 . . . . 20.0 111.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.25 -56.36 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 113.444 0.905 . . . . 20.0 113.444 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 83.9 m -50.35 -47.02 56.14 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.673 0.749 . . . . 20.0 110.377 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' H ' ' A' ' 23' ' ' THR . 17.7 tt0 -66.93 -45.99 76.17 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.213 -1.395 . . . . 20.0 113.572 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -62.39 -52.85 61.96 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 117.08 2.252 . . . . 20.0 117.08 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 79.1 mt -86.96 -30.99 20.89 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 115.683 1.735 . . . . 20.0 115.683 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.704 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -104.71 -24.99 12.86 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 115.631 1.715 . . . . 20.0 115.631 -178.586 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t30 63.37 66.99 0.68 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.635 1.207 . . . . 20.0 108.8 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.427 ' H ' ' HA ' ' A' ' 18' ' ' GLN . 9.7 t -157.9 149.84 21.98 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.705 -2.043 . . . . 20.0 105.878 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -87.37 -43.75 11.89 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 120.035 -0.666 . . . . 20.0 112.196 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -64.38 124.59 22.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 115.656 1.725 . . . . 20.0 115.656 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -165.33 154.54 25.33 Favored Glycine 0 N--CA 1.486 2.032 0 CA-C-N 112.775 -2.011 . . . . 20.0 109.095 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -158.1 171.31 20.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 109.112 -0.699 . . . . 20.0 109.112 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 33.9 t -140.94 145.75 36.47 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.534 2.05 . . . . 20.0 116.534 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtt -105.21 152.13 23.23 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.45 -2.796 . . . . 20.0 103.45 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -42.36 -31.84 0.45 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 125.461 1.726 . . . . 20.0 111.068 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.67 -58.98 3.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.062 -1.426 . . . . 20.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.41 176.1 7.68 Favored 'General case' 0 N--CA 1.503 2.207 0 C-N-CA 119.911 -0.716 . . . . 20.0 112.041 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 7.8 t -81.74 148.46 28.92 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.845 -1.07 . . . . 20.0 111.291 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 38.5 ttm180 -142.21 143.95 33.15 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.945 -1.131 . . . . 20.0 107.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -120.05 172.7 7.56 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 123.644 0.59 . . . . 20.0 109.85 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -132.45 158.51 41.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 114.566 -1.197 . . . . 20.0 110.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.93 -1.51 . . . . 20.0 109.764 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 108.802 -0.814 . . . . 20.0 108.802 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.95 148.26 42.36 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.577 0.954 . . . . 20.0 113.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -141.06 144.42 34.95 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.098 -1.445 . . . . 20.0 107.098 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -82.61 9.91 8.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.32 128.93 37.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 113.984 1.105 . . . . 20.0 113.984 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -82.68 168.7 16.99 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.98 -1.489 . . . . 20.0 106.98 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.56 150.98 19.96 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 118.665 -1.214 . . . . 20.0 112.678 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -117.01 -25.01 7.35 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 124.463 1.102 . . . . 20.0 108.183 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.0 p -141.73 139.65 32.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 115.084 -0.962 . . . . 20.0 108.447 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -56.84 -20.0 20.48 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.271 1.212 . . . . 20.0 114.271 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.4 -29.83 64.42 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.643 0.735 . . . . 20.0 109.559 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -76.03 -48.01 22.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.802 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m -50.83 -43.24 59.05 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 114.252 -1.34 . . . . 20.0 113.048 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -59.25 -54.66 44.34 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.713 1.375 . . . . 20.0 114.713 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -51.51 -50.7 59.42 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 118.659 -1.216 . . . . 20.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.48 -60.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 114.623 -1.171 . . . . 20.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -49.89 -50.84 44.48 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.668 -0.813 . . . . 20.0 111.792 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -54.3 -56.73 15.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.355 0.872 . . . . 20.0 113.355 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -49.41 72.1 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.641 0.978 . . . . 20.0 113.641 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.87 -48.77 43.55 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.933 2.197 . . . . 20.0 116.933 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -129.23 157.39 41.97 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.3 0.572 . . . . 20.0 110.935 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.2 77.74 4.69 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.001 -1.0 . . . . 20.0 109.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -158.31 146.65 18.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.86 -1.163 . . . . 20.0 107.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.3 m -104.88 -36.42 7.37 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.288 -1.324 . . . . 20.0 110.705 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -62.29 127.37 31.02 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.485 -0.779 . . . . 20.0 110.794 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.92 144.63 10.08 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.523 -1.431 . . . . 20.0 109.523 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -154.01 161.44 41.95 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.431 -0.581 . . . . 20.0 109.431 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.07 136.55 48.39 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 116.976 2.213 . . . . 20.0 116.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.8 ttt -110.68 144.99 38.76 Favored 'General case' 0 N--CA 1.496 1.853 1 N-CA-C 99.724 -4.176 . . . . 20.0 99.724 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -44.42 -23.94 0.15 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 114.429 1.27 . . . . 20.0 114.429 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -80.77 -50.19 10.17 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.797 -1.092 . . . . 20.0 111.173 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.8 -177.55 3.07 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.667 -1.235 . . . . 20.0 107.667 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.5 t -86.79 152.04 22.85 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.776 -1.17 . . . . 20.0 111.289 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 30.2 ttp180 -134.81 143.57 47.14 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.464 -1.31 . . . . 20.0 107.464 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.4 m -123.77 -174.26 2.94 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 104.971 -2.233 . . . . 20.0 104.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -137.65 152.5 49.38 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.93 -0.708 . . . . 20.0 109.881 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.652 -1.642 . . . . 20.0 110.059 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 115.36 1.615 . . . . 20.0 115.36 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -85.04 152.7 23.23 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.333 -1.303 . . . . 20.0 112.122 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.5 p -140.59 140.12 35.07 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 105.281 -2.118 . . . . 20.0 105.281 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -80.62 10.1 5.26 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 118.979 -1.088 . . . . 20.0 109.528 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -77.99 127.69 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 114.987 -1.006 . . . . 20.0 112.294 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -88.87 166.75 13.76 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 105.794 -1.928 . . . . 20.0 105.794 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 3.4 p -159.48 154.8 25.41 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.822 -1.951 . . . . 20.0 113.397 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -117.51 -12.96 10.31 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.169 -1.832 . . . . 20.0 107.672 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -148.33 139.46 23.27 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.399 1.095 . . . . 20.0 112.81 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -59.69 -28.8 67.62 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.786 -1.097 . . . . 20.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -52.3 -42.22 63.59 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.488 -0.885 . . . . 20.0 109.254 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.78 -43.63 75.34 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.95 -1.023 . . . . 20.0 112.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -50.17 -45.97 53.78 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.315 -1.354 . . . . 20.0 111.717 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -53.61 -59.45 4.59 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.804 1.409 . . . . 20.0 114.804 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -48.96 -53.16 20.97 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.569 -1.252 . . . . 20.0 110.291 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.57 -57.23 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 C-N-CA 119.064 -1.054 . . . . 20.0 111.928 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -47.02 -54.95 9.09 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.886 -0.597 . . . . 20.0 112.57 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -56.0 -50.09 71.83 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 123.834 0.709 . . . . 20.0 112.842 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.29 -48.5 81.47 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.104 -1.038 . . . . 20.0 113.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.88 -50.31 57.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 114.92 1.452 . . . . 20.0 114.92 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -134.02 168.76 18.22 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.338 -0.945 . . . . 20.0 109.422 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -81.75 72.34 8.8 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.286 -1.005 . . . . 20.0 108.286 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.2 p -120.45 -162.5 0.95 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.598 -1.26 . . . . 20.0 107.598 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 p -162.3 -54.81 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 118.567 -1.253 . . . . 20.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -78.43 143.18 36.98 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.01 -1.076 . . . . 20.0 108.439 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.27 147.01 14.19 Favored Glycine 0 N--CA 1.488 2.114 0 C-N-CA 118.914 -1.613 . . . . 20.0 109.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.8 mtpt -134.89 167.09 21.53 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.038 -0.727 . . . . 20.0 109.038 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.22 127.86 48.35 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 114.527 1.306 . . . . 20.0 114.527 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -106.67 145.24 32.23 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 102.089 -3.3 . . . . 20.0 102.089 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -44.9 -28.18 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 125.362 1.664 . . . . 20.0 110.125 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -74.53 -55.56 5.79 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.741 -1.184 . . . . 20.0 109.7 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -166.94 179.67 5.14 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.509 -0.876 . . . . 20.0 109.576 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 42.3 t -88.7 158.85 18.07 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.815 -1.554 . . . . 20.0 107.588 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 40.3 ttp180 -143.07 133.22 24.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 104.584 -2.376 . . . . 20.0 104.584 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.9 m -107.02 159.57 16.19 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.013 -1.075 . . . . 20.0 110.228 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -130.69 157.3 43.17 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.708 -1.587 . . . . 20.0 108.609 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.302 -1.495 0 CA-C-O 116.936 -1.507 . . . . 20.0 108.484 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.533 -1.284 . . . . 20.0 107.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -107.8 134.29 50.96 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.82 -0.752 . . . . 20.0 112.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 p -119.76 154.62 33.92 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.182 -1.784 . . . . 20.0 106.182 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.21 17.83 1.92 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.363 0.601 . . . . 20.0 109.866 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.0 114.54 24.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 116.714 2.116 . . . . 20.0 116.714 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -71.26 160.12 33.39 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.266 -1.383 . . . . 20.0 107.266 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.1 p -156.04 167.44 30.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.775 -1.17 . . . . 20.0 112.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.34 -34.29 0.86 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 113.3 -1.773 . . . . 20.0 107.975 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -120.0 137.43 54.09 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 115.398 -0.819 . . . . 20.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -60.53 -24.59 65.47 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 114.66 1.356 . . . . 20.0 114.66 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -58.38 -20.66 45.87 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -74.92 -45.78 40.24 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.852 1.056 . . . . 20.0 113.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m -54.12 -38.12 65.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 118.547 -1.261 . . . . 20.0 111.45 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -48.18 -68.94 0.14 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.248 0.833 . . . . 20.0 113.248 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 m -50.37 -51.04 49.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.872 -0.731 . . . . 20.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.13 -59.21 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 114.39 -1.277 . . . . 20.0 112.483 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.0 m -55.23 -49.5 71.83 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.414 -0.812 . . . . 20.0 112.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.26 -52.22 53.91 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.819 -0.753 . . . . 20.0 112.773 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.41 -51.57 68.19 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.365 1.246 . . . . 20.0 114.365 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.14 -45.25 81.7 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.642 1.719 . . . . 20.0 115.642 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -120.89 -124.86 0.27 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.918 -0.583 . . . . 20.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.1 62.01 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 122.033 0.92 . . . . 20.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.7 p -123.15 -151.12 0.47 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.94 -1.482 . . . . 20.0 107.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -169.12 -42.63 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 114.939 -1.028 . . . . 20.0 108.436 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -74.51 129.93 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 113.883 -1.508 . . . . 20.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.01 167.89 35.55 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 120.104 -1.046 . . . . 20.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -143.91 173.64 11.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.999 -1.111 . . . . 20.0 107.999 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 t -132.11 125.28 30.95 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.49 1.663 . . . . 20.0 115.49 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.15 149.61 28.29 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 102.968 -2.975 . . . . 20.0 102.968 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -43.15 -29.31 0.36 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.821 1.326 . . . . 20.0 112.245 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.69 -49.43 12.1 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.544 -1.207 . . . . 20.0 112.417 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -161.61 168.11 24.06 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.334 -0.946 . . . . 20.0 112.121 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -83.61 143.58 30.02 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 100.986 -3.709 . . . . 20.0 100.986 179.607 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -130.57 144.31 51.33 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.844 -0.535 . . . . 20.0 110.623 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.17 151.94 25.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 123.945 0.778 . . . . 20.0 109.964 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -111.83 155.43 23.6 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 116.051 -0.522 . . . . 20.0 109.834 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.103 -1.427 . . . . 20.0 109.867 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 107.438 -1.319 . . . . 20.0 107.438 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -86.1 149.22 25.29 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.676 0.991 . . . . 20.0 113.676 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -145.1 141.97 29.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.798 -1.556 . . . . 20.0 106.798 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.31 18.48 1.12 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.813 -0.755 . . . . 20.0 111.988 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -86.84 130.79 36.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -86.07 179.13 7.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.569 -0.852 . . . . 20.0 108.945 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -148.19 177.78 9.11 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 118.149 -1.421 . . . . 20.0 114.07 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 p -144.67 -45.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 111.734 -2.485 . . . . 20.0 104.947 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.9 p -128.74 135.79 49.68 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.058 -1.09 . . . . 20.0 108.058 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -51.57 -21.27 2.41 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 115.698 1.74 . . . . 20.0 115.698 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -61.9 -20.78 64.13 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.653 -0.819 . . . . 20.0 111.345 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.71 -51.21 61.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 116.136 1.902 . . . . 20.0 116.136 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -56.72 -34.55 67.6 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 117.548 -1.661 . . . . 20.0 111.832 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -53.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.596 -1.642 . . . . 20.0 113.43 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.1 p -50.18 -48.57 54.01 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.446 -1.302 . . . . 20.0 111.808 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -53.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.24 -0.984 . . . . 20.0 113.339 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 23.3 m -57.17 -45.2 83.85 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.645 -0.822 . . . . 20.0 111.278 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.46 -50.01 72.96 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.842 -1.143 . . . . 20.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -57.09 -54.51 45.93 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.968 -1.093 . . . . 20.0 113.194 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.61 -53.89 14.17 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 116.751 2.13 . . . . 20.0 116.751 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -117.54 -179.94 3.88 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 115.936 -0.575 . . . . 20.0 111.196 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -105.11 73.91 1.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.239 -0.891 . . . . 20.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 p -132.75 -154.64 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.938 -1.134 . . . . 20.0 107.938 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.2 p -165.61 -45.6 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.155 -1.054 . . . . 20.0 108.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -70.71 139.66 51.23 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 20.0 111.641 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.01 161.26 33.16 Favored Glycine 0 N--CA 1.485 1.926 0 C-N-CA 119.084 -1.532 . . . . 20.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 26.3 pttt -159.23 -173.05 4.0 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.926 -1.509 . . . . 20.0 106.926 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.9 t -143.38 151.36 40.32 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.334 -1.747 . . . . 20.0 113.374 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.0 mtp -113.55 153.01 29.49 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 103.833 -2.655 . . . . 20.0 103.833 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -43.07 -31.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 125.194 1.558 . . . . 20.0 112.103 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -75.14 -49.06 20.79 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.816 -1.153 . . . . 20.0 112.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -163.68 178.6 7.78 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.531 -0.868 . . . . 20.0 111.824 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 150.44 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 104.065 -2.569 . . . . 20.0 104.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -142.42 140.24 31.9 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.422 -0.911 . . . . 20.0 108.814 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.5 m -96.48 158.66 15.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 124.003 0.814 . . . . 20.0 111.018 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -141.61 152.5 44.05 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.004 -1.453 . . . . 20.0 110.547 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.3 -1.555 0 N-CA-C 106.366 -1.716 . . . . 20.0 106.366 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 115.183 1.549 . . . . 20.0 115.183 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -91.59 149.62 21.57 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 113.746 -1.57 . . . . 20.0 111.285 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.9 p -128.58 147.45 50.71 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.131 -1.803 . . . . 20.0 106.131 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.24 33.11 0.34 Allowed 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.834 -0.746 . . . . 20.0 111.432 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.33 119.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -75.9 162.58 27.99 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.039 -1.464 . . . . 20.0 107.63 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.2 p -158.08 178.5 10.14 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.763 -1.175 . . . . 20.0 112.507 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.2 p -139.83 -37.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 112.689 -2.05 . . . . 20.0 108.379 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -119.72 136.17 54.54 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.646 0.736 . . . . 20.0 109.023 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -58.22 -22.87 53.79 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.193 1.924 . . . . 20.0 116.193 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -61.63 -19.12 61.92 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.3 -0.96 . . . . 20.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -68.79 -55.0 12.63 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 114.768 -1.105 . . . . 20.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -54.32 -34.7 61.57 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.697 -1.138 . . . . 20.0 111.055 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -51.43 -71.52 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.222 -0.991 . . . . 20.0 111.801 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -45.33 -48.58 13.22 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.752 0.787 . . . . 20.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -55.49 -58.48 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-N 114.909 -1.041 . . . . 20.0 113.373 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.46 -31.38 70.38 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.518 -0.873 . . . . 20.0 113.209 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.7 -44.92 80.4 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.034 -1.466 . . . . 20.0 109.555 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.46 -49.91 67.36 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.538 -0.865 . . . . 20.0 111.601 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 10.9 mp -68.71 -60.2 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.963 1.097 . . . . 20.0 113.963 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 20' ' ' LEU . 7.8 m-70 -106.75 -154.1 0.51 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.452 -1.249 . . . . 20.0 110.47 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -141.52 65.29 1.38 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.393 -1.336 . . . . 20.0 107.393 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.5 p -120.7 -156.92 0.7 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.081 -1.418 . . . . 20.0 109.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -163.14 -52.07 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 114.655 -1.157 . . . . 20.0 109.579 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 25' ' ' ARG . 46.1 mtt85 -66.23 115.49 6.26 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 114.402 -1.272 . . . . 20.0 110.808 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.78 163.66 31.84 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 118.891 -1.624 . . . . 20.0 110.679 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -157.62 173.0 17.52 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 114.709 -0.746 . . . . 20.0 110.732 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.8 t -120.12 132.52 55.44 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.873 1.805 . . . . 20.0 115.873 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 148.62 34.75 Favored 'General case' 0 N--CA 1.489 1.505 1 N-CA-C 99.674 -4.195 . . . . 20.0 99.674 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -44.94 -31.81 1.4 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.293 0.996 . . . . 20.0 112.476 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.78 -51.18 36.1 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.902 -1.119 . . . . 20.0 111.443 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -165.69 175.55 8.74 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 119.452 -0.899 . . . . 20.0 111.767 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -92.43 142.5 27.35 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 104.769 -2.308 . . . . 20.0 104.769 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -151.34 157.72 42.85 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 118.73 -1.188 . . . . 20.0 109.674 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -128.41 165.24 21.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.228 -0.989 . . . . 20.0 110.032 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -124.2 172.26 9.19 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.264 -1.335 . . . . 20.0 109.136 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.302 -1.497 0 CA-C-O 116.784 -1.579 . . . . 20.0 109.888 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 114.168 1.173 . . . . 20.0 114.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.7 p -137.64 147.23 44.77 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 104.808 -2.293 . . . . 20.0 104.808 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -80.85 12.91 2.91 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.275 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.36 125.22 40.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.099 -0.955 . . . . 20.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -83.94 -169.45 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.467 -1.679 . . . . 20.0 106.467 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.05 -178.71 7.5 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 117.076 -1.85 . . . . 20.0 112.702 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -145.86 -45.5 0.21 Allowed 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 112.044 -2.343 . . . . 20.0 105.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -133.33 135.49 44.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.157 -1.423 . . . . 20.0 107.157 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -47.85 -22.08 0.51 Allowed 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 115.062 1.505 . . . . 20.0 115.062 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -48.85 -35.52 14.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.646 1.213 . . . . 20.0 110.323 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.37 -52.61 37.98 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 117.073 2.249 . . . . 20.0 117.073 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 m -54.06 -37.85 64.63 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 117.204 -1.798 . . . . 20.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -49.94 -67.38 0.26 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 116.325 1.972 . . . . 20.0 116.325 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 m -58.29 -41.49 84.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.529 -1.268 . . . . 20.0 111.134 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -57.25 -56.3 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 118.392 -1.323 . . . . 20.0 109.663 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 61.4 m -52.59 -57.61 9.43 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 114.099 1.148 . . . . 20.0 114.099 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -58.51 -34.06 70.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.206 -0.998 . . . . 20.0 113.231 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.7 -50.45 24.76 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.439 -1.304 . . . . 20.0 111.116 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.24 -48.48 78.06 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.414 1.635 . . . . 20.0 115.414 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -126.33 172.98 9.67 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.257 -0.883 . . . . 20.0 108.822 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.43 74.18 9.42 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.833 -1.173 . . . . 20.0 107.833 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -138.55 -166.61 2.03 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.581 -1.19 . . . . 20.0 107.868 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 18' ' ' GLN . 61.8 m -165.02 -48.38 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.396 1.685 . . . . 20.0 107.306 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -68.88 127.89 34.72 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.424 -2.171 . . . . 20.0 111.481 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.77 159.7 28.43 Favored Glycine 0 N--CA 1.481 1.679 0 CA-C-N 113.621 -1.627 . . . . 20.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -160.59 144.59 13.84 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.072 -1.455 . . . . 20.0 107.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -103.78 155.79 18.33 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 115.898 1.814 . . . . 20.0 115.898 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 43.0 tpp -122.62 149.61 43.76 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 102.891 -3.003 . . . . 20.0 102.891 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -43.06 -30.83 0.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.681 1.238 . . . . 20.0 112.464 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -73.99 -51.86 14.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.85 -1.14 . . . . 20.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -161.86 178.64 8.74 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 118.79 -1.164 . . . . 20.0 110.601 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.82 152.04 27.1 Favored 'General case' 0 C--N 1.295 -1.765 1 N-CA-C 99.536 -4.246 . . . . 20.0 99.536 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -138.13 149.68 46.13 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.988 -1.115 . . . . 20.0 107.988 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.303 -1.456 0 O-C-N 124.101 0.875 . . . . 20.0 111.624 -179.636 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 111.951 0.352 . . . . 20.0 111.951 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.4 p -122.3 149.45 43.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.567 -2.012 . . . . 20.0 105.567 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -82.52 28.05 0.49 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.267 0.556 . . . . 20.0 110.376 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.31 126.12 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 115.084 -0.962 . . . . 20.0 113.361 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -93.09 131.43 38.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 105.017 -2.216 . . . . 20.0 105.017 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.82 174.75 6.95 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 118.815 -1.154 . . . . 20.0 112.721 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.0 p -104.99 -35.5 7.64 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 104.991 -2.226 . . . . 20.0 104.991 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -152.88 -60.4 0.15 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.942 -1.481 . . . . 20.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.1 p -177.96 -29.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.23 0.538 . . . . 20.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -47.8 -31.73 5.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.73 -61.52 2.36 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.302 -1.317 . . . . 20.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -50.24 -34.66 23.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 115.981 1.845 . . . . 20.0 115.981 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -54.23 -69.07 0.13 Allowed 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.56 -1.656 . . . . 20.0 112.842 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 m -52.64 -45.79 66.82 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 120.09 -0.644 . . . . 20.0 111.939 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.57 -57.76 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.191 -0.604 . . . . 20.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 79.5 m -50.17 -50.77 48.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.386 -0.824 . . . . 20.0 111.737 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -57.03 -48.65 77.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.664 -1.153 . . . . 20.0 113.555 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.46 -45.22 73.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.517 1.302 . . . . 20.0 114.517 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.3 -44.12 63.18 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.01 2.226 . . . . 20.0 117.01 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -128.86 8.9 5.77 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 114.191 1.182 . . . . 20.0 114.191 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 50.51 78.92 0.09 Allowed 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 122.795 1.283 . . . . 20.0 112.037 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 p -134.82 -157.43 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.607 -2.088 . . . . 20.0 108.837 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -150.15 -41.01 0.13 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.004 -0.998 . . . . 20.0 111.261 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -83.94 109.25 17.46 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.378 -0.929 . . . . 20.0 110.224 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.18 148.5 19.82 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 106.803 -2.519 . . . . 20.0 106.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -156.7 -177.4 6.58 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.431 -0.907 . . . . 20.0 108.617 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 7.3 t -153.35 141.65 20.58 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 116.585 2.069 . . . . 20.0 116.585 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 33.0 ttm -94.68 152.51 18.42 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 103.188 -2.893 . . . . 20.0 103.188 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.63 -30.04 0.85 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 125.072 1.482 . . . . 20.0 111.058 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.8 -52.09 9.46 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.679 -1.146 . . . . 20.0 109.606 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -165.28 166.56 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 115.743 1.757 . . . . 20.0 115.743 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.81 143.76 32.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 111.966 -2.379 . . . . 20.0 110.383 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.561 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.3 ptp180 -147.29 157.19 43.5 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.05 -1.432 . . . . 20.0 108.593 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.2 m . . . . . 0 C--N 1.304 -1.411 0 CA-C-N 115.034 -0.985 . . . . 20.0 111.716 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 121.824 0.821 . . . . 20.0 112.046 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -145.55 135.64 23.77 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.103 -1.814 . . . . 20.0 106.103 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -83.07 17.57 1.93 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 115.438 -0.801 . . . . 20.0 110.272 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -85.2 125.83 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 115.417 -0.81 . . . . 20.0 112.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -83.7 165.02 19.27 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 105.965 -1.865 . . . . 20.0 105.965 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p -160.11 150.15 18.27 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.625 -1.63 . . . . 20.0 114.016 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -109.05 -37.67 5.76 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.973 -1.467 . . . . 20.0 108.797 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.0 p -125.98 137.35 53.67 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.536 -1.211 . . . . 20.0 110.29 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -58.21 -21.86 49.54 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.34 -0.845 . . . . 20.0 112.33 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -50.77 -41.47 56.84 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.899 1.333 . . . . 20.0 109.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -69.74 -45.01 69.09 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.271 -1.786 . . . . 20.0 112.646 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -51.34 -43.03 61.67 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.357 -1.337 . . . . 20.0 111.681 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -55.93 -61.22 2.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 114.257 1.206 . . . . 20.0 114.257 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -48.35 -48.74 36.23 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.943 -1.103 . . . . 20.0 110.411 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.13 -60.92 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-N 115.391 -0.822 . . . . 20.0 112.821 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.5 m -50.89 -48.54 60.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.375 -0.93 . . . . 20.0 112.361 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -56.84 -51.42 69.1 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.95 -46.26 90.1 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.223 -0.991 . . . . 20.0 113.232 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.32 -51.51 51.62 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 114.055 1.131 . . . . 20.0 114.055 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.8 160.88 33.08 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.215 -0.594 . . . . 20.0 110.926 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -73.29 85.79 1.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.487 -1.301 . . . . 20.0 107.487 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 p -137.58 -164.52 1.62 Allowed 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.053 -0.976 . . . . 20.0 110.16 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -169.21 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.337 -1.756 . . . . 20.0 106.388 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -80.71 111.73 17.42 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.388 -1.278 . . . . 20.0 112.389 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.9 158.22 27.57 Favored Glycine 0 N--CA 1.486 2.013 0 CA-C-N 114.202 -1.363 . . . . 20.0 109.74 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 164.87 38.21 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 114.786 -0.707 . . . . 20.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -108.01 136.01 48.41 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.637 1.717 . . . . 20.0 115.637 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.7 mmm -114.02 150.53 33.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 101.853 -3.388 . . . . 20.0 101.853 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.41 -25.6 0.15 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 125.375 1.672 . . . . 20.0 114.157 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -85.69 -49.03 8.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.267 -0.973 . . . . 20.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -170.91 -179.91 2.94 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.624 -0.831 . . . . 20.0 109.125 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.8 t -85.48 156.13 20.93 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 118.012 -1.475 . . . . 20.0 109.12 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 43.2 ttm180 -145.17 145.41 31.34 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.425 -1.324 . . . . 20.0 107.425 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 104.793 -2.299 . . . . 20.0 104.793 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 116.688 2.107 . . . . 20.0 116.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -134.12 149.16 51.07 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 101.529 -3.508 . . . . 20.0 101.529 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.48 18.35 1.2 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.423 -1.311 . . . . 20.0 111.765 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.18 122.73 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 115.264 1.579 . . . . 20.0 115.264 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -86.41 -173.32 4.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.42 -1.696 . . . . 20.0 106.42 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -156.84 -175.61 5.52 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.896 -1.922 . . . . 20.0 113.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -140.17 -42.29 0.42 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 110.665 -2.971 . . . . 20.0 105.157 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -137.68 138.93 39.9 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.923 -1.139 . . . . 20.0 107.923 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -54.66 -18.07 4.12 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.842 1.053 . . . . 20.0 113.842 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -52.11 -33.47 39.83 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.389 1.09 . . . . 20.0 108.712 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -68.06 -49.47 61.16 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.354 -1.294 . . . . 20.0 113.067 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 68.4 m -51.19 -41.01 59.93 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.775 -1.17 . . . . 20.0 113.592 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -55.65 -61.56 2.27 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.631 -1.228 . . . . 20.0 112.465 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 m -50.16 -50.94 47.4 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.521 -1.272 . . . . 20.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -53.36 -60.93 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 115.381 -0.827 . . . . 20.0 113.073 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.6 m -51.18 -45.46 61.78 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.394 -0.821 . . . . 20.0 112.734 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -59.72 -52.32 66.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.134 -1.026 . . . . 20.0 111.76 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -53.15 58.49 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.704 0.764 . . . . 20.0 112.294 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.23 -54.52 14.34 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 116.756 2.132 . . . . 20.0 116.756 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -120.62 160.22 23.69 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.617 -0.72 . . . . 20.0 112.265 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -83.08 71.39 10.14 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.049 -0.978 . . . . 20.0 108.637 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.9 p -124.06 -161.79 1.02 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.138 -0.937 . . . . 20.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.0 t -158.1 -46.48 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.205 -1.362 . . . . 20.0 109.238 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -81.06 144.76 31.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.93 -1.032 . . . . 20.0 108.406 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.47 146.04 10.97 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.455 -1.858 . . . . 20.0 108.455 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -147.89 175.36 11.02 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 t -150.86 133.29 15.54 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.24 -1.384 . . . . 20.0 113.964 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 tpp -93.05 155.43 17.52 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 102.805 -3.035 . . . . 20.0 102.805 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -43.67 -29.85 0.55 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 126.012 2.07 . . . . 20.0 109.419 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.12 -61.38 1.88 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.348 -1.296 . . . . 20.0 108.7 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -168.59 175.23 6.28 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.174 -0.611 . . . . 20.0 112.628 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 51.6 t -87.19 152.16 22.56 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 122.322 1.058 . . . . 20.0 112.515 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 11.2 ptt180 -148.34 140.85 24.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m . . . . . 0 C--N 1.3 -1.558 0 CA-C-N 114.639 -1.164 . . . . 20.0 110.796 -179.645 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 120.886 0.374 . . . . 20.0 111.404 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 p -144.81 131.98 20.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 105.976 -1.861 . . . . 20.0 105.976 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -82.42 9.85 8.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.554 -1.203 . . . . 20.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -75.59 134.12 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-N 114.812 -1.086 . . . . 20.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -91.92 -178.99 5.18 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.205 -1.406 . . . . 20.0 107.205 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 p -152.87 -168.23 2.98 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 117.235 -1.786 . . . . 20.0 113.567 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -146.7 -43.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 112.316 -2.22 . . . . 20.0 106.137 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -142.45 140.98 32.12 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.019 -1.104 . . . . 20.0 108.019 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -49.64 -21.91 1.16 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 113.787 1.032 . . . . 20.0 113.787 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -51.94 -34.87 43.89 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.09 0.947 . . . . 20.0 109.798 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -75.46 -40.21 57.74 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 114.534 -1.212 . . . . 20.0 113.081 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 36.7 m -54.92 -42.57 72.4 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 117.684 -1.606 . . . . 20.0 112.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -55.3 -52.73 62.52 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.255 1.206 . . . . 20.0 114.255 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.3 m -54.26 -54.66 37.06 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 118.639 -1.225 . . . . 20.0 109.491 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.77 -56.28 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 115.164 -0.925 . . . . 20.0 111.68 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -52.88 -51.28 61.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.594 -0.843 . . . . 20.0 112.221 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -57.35 -48.84 77.97 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.247 -0.981 . . . . 20.0 112.062 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -56.66 -51.5 68.51 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.969 0.729 . . . . 20.0 112.969 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.44 -48.34 34.5 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 117.127 2.269 . . . . 20.0 117.127 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -128.12 158.52 37.79 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.529 0.68 . . . . 20.0 112.092 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -79.3 76.48 5.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.857 -1.52 . . . . 20.0 110.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -158.78 148.85 19.51 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.12 -1.437 . . . . 20.0 107.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -103.88 -28.07 11.82 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.633 -1.167 . . . . 20.0 111.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -70.55 125.36 26.58 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.183 -0.917 . . . . 20.0 113.346 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.88 139.37 6.32 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.982 -1.104 . . . . 20.0 111.358 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.98 174.19 11.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.621 -1.622 . . . . 20.0 106.621 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 54.0 t -137.73 145.81 42.95 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.544 -1.262 . . . . 20.0 113.08 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.77 148.21 28.74 Favored 'General case' 0 C--N 1.305 -1.349 1 N-CA-C 99.96 -4.089 . . . . 20.0 99.96 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.44 -28.79 0.6 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.988 1.43 . . . . 20.0 112.035 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -74.2 -52.18 13.22 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.215 -0.994 . . . . 20.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -165.95 178.45 6.44 Favored 'General case' 0 N--CA 1.504 2.225 0 C-N-CA 120.414 -0.514 . . . . 20.0 110.696 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 48.7 t -87.87 160.31 18.03 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.669 -0.813 . . . . 20.0 111.203 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 39.9 ttm180 -148.33 140.48 24.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.786 -1.561 . . . . 20.0 106.786 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.304 -1.407 0 N-CA-C 106.174 -1.787 . . . . 20.0 106.174 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 113.494 0.924 . . . . 20.0 113.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -142.09 136.93 30.62 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.493 -1.669 . . . . 20.0 106.493 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.45 38.66 0.69 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 115.783 -0.644 . . . . 20.0 111.03 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.454 HG11 HG21 ' A' ' 16' ' ' VAL . 55.7 t -99.15 120.83 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-N 114.294 -1.321 . . . . 20.0 109.586 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -76.19 165.73 24.47 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.985 -1.086 . . . . 20.0 108.412 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.97 134.42 9.6 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.015 -1.074 . . . . 20.0 113.859 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -99.0 -30.78 12.15 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 114.608 -1.178 . . . . 20.0 109.753 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -136.73 138.68 41.23 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.914 -1.039 . . . . 20.0 110.693 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.2 p -47.3 -30.11 2.92 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.84 2.163 . . . . 20.0 116.84 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -56.23 -27.64 55.58 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.907 0.861 . . . . 20.0 111.45 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -63.47 -52.7 60.24 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.53 1.157 . . . . 20.0 110.178 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.49 -38.49 59.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.154 -1.839 . . . . 20.0 113.641 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -58.84 -56.45 22.1 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.068 -1.453 . . . . 20.0 112.513 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -49.68 -50.29 44.23 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.491 -1.283 . . . . 20.0 110.266 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 HG11 ' A' ' 5' ' ' VAL . 70.2 t -56.63 -55.05 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 113.624 0.972 . . . . 20.0 113.624 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.536 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 59.3 m -50.83 -41.28 57.46 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -46.23 66.17 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.212 -0.995 . . . . 20.0 112.572 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -57.76 -61.16 2.72 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.759 2.503 . . . . 20.0 117.759 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.658 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 65.5 mt -84.47 -27.46 27.46 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 113.82 1.044 . . . . 20.0 113.82 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.658 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.93 179.74 3.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 124.727 1.267 . . . . 20.0 111.832 -178.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -131.16 65.28 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.928 -1.508 . . . . 20.0 106.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 24' ' ' SER . 10.1 t -142.11 -139.41 0.12 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.183 -2.28 . . . . 20.0 106.372 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 23' ' ' THR . 25.7 t -167.78 -49.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.8 0.809 . . . . 20.0 109.787 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.65 118.76 9.36 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.415 -1.72 . . . . 20.0 112.605 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -156.6 156.39 27.1 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.783 -1.727 . . . . 20.0 108.783 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -155.52 171.47 19.87 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.364 -0.935 . . . . 20.0 109.306 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.61 139.62 48.86 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 118.541 2.793 . . . . 20.0 118.541 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 31.3 mtp -116.25 149.34 39.35 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 102.532 -3.136 . . . . 20.0 102.532 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -39.43 -30.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 125.857 1.973 . . . . 20.0 113.107 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -79.96 -51.33 9.21 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.925 -1.11 . . . . 20.0 112.29 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -170.33 -177.12 2.37 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.891 -0.781 . . . . 20.0 108.891 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.4 t -87.97 151.97 22.4 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.716 -1.194 . . . . 20.0 110.503 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 ttm180 -138.56 142.18 39.24 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.687 -1.968 . . . . 20.0 105.687 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 106.282 -1.747 . . . . 20.0 106.282 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.392 0.615 . . . . 20.0 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -140.08 143.86 36.51 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.261 -2.126 . . . . 20.0 105.261 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -81.14 25.4 0.48 Allowed 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.385 -0.926 . . . . 20.0 111.985 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -87.75 119.79 35.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 115.134 -0.939 . . . . 20.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -80.83 -172.0 3.45 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.75 157.57 29.63 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 117.537 -1.665 . . . . 20.0 111.189 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 p -93.77 -32.97 13.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.606 -1.257 . . . . 20.0 107.606 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -146.82 -69.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.133 -0.94 . . . . 20.0 111.832 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.9 p -174.9 -26.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.483 0.659 . . . . 20.0 111.891 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -50.66 -26.65 5.7 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.697 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.53 -48.29 56.23 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.2 -0.909 . . . . 20.0 112.216 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 49.2 m -54.37 -40.34 68.04 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 117.655 -1.618 . . . . 20.0 113.561 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -47.11 -65.63 0.53 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 124.916 1.385 . . . . 20.0 113.773 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 m -55.16 -46.83 75.75 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.809 -1.156 . . . . 20.0 111.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.25 -56.36 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 113.444 0.905 . . . . 20.0 113.444 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 83.9 m -50.35 -47.02 56.14 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.673 0.749 . . . . 20.0 110.377 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' H ' ' A' ' 23' ' ' THR . 17.7 tt0 -66.93 -45.99 76.17 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.213 -1.395 . . . . 20.0 113.572 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -62.39 -52.85 61.96 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 117.08 2.252 . . . . 20.0 117.08 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 79.1 mt -86.96 -30.99 20.89 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 115.683 1.735 . . . . 20.0 115.683 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.704 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -104.71 -24.99 12.86 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 115.631 1.715 . . . . 20.0 115.631 -178.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t30 63.37 66.99 0.68 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.635 1.207 . . . . 20.0 108.8 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.427 ' H ' ' HA ' ' A' ' 18' ' ' GLN . 9.7 t -157.9 149.84 21.98 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.705 -2.043 . . . . 20.0 105.878 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -87.37 -43.75 11.89 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 120.035 -0.666 . . . . 20.0 112.196 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -64.38 124.59 22.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 115.656 1.725 . . . . 20.0 115.656 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -165.33 154.54 25.33 Favored Glycine 0 N--CA 1.486 2.032 0 CA-C-N 112.775 -2.011 . . . . 20.0 109.095 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -158.1 171.31 20.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 109.112 -0.699 . . . . 20.0 109.112 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 33.9 t -140.94 145.75 36.47 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.534 2.05 . . . . 20.0 116.534 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtt -105.21 152.13 23.23 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.45 -2.796 . . . . 20.0 103.45 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.577 HD22 ' H ' ' A' ' 30' ' ' ASN . 3.7 m-80 -42.36 -31.84 0.45 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 125.461 1.726 . . . . 20.0 111.068 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.67 -58.98 3.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.062 -1.426 . . . . 20.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.41 176.1 7.68 Favored 'General case' 0 N--CA 1.503 2.207 0 C-N-CA 119.911 -0.716 . . . . 20.0 112.041 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 7.8 t -81.74 148.46 28.92 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.845 -1.07 . . . . 20.0 111.291 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 38.5 ttm180 -142.21 143.95 33.15 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.945 -1.131 . . . . 20.0 107.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--N 1.304 -1.412 0 O-C-N 123.644 0.59 . . . . 20.0 109.85 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.577 0.954 . . . . 20.0 113.577 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -141.06 144.42 34.95 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.098 -1.445 . . . . 20.0 107.098 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -82.61 9.91 8.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.32 128.93 37.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 113.984 1.105 . . . . 20.0 113.984 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -82.68 168.7 16.99 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.98 -1.489 . . . . 20.0 106.98 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.56 150.98 19.96 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 118.665 -1.214 . . . . 20.0 112.678 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -117.01 -25.01 7.35 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 124.463 1.102 . . . . 20.0 108.183 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.0 p -141.73 139.65 32.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 115.084 -0.962 . . . . 20.0 108.447 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -56.84 -20.0 20.48 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.271 1.212 . . . . 20.0 114.271 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.4 -29.83 64.42 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.643 0.735 . . . . 20.0 109.559 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -76.03 -48.01 22.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.802 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m -50.83 -43.24 59.05 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 114.252 -1.34 . . . . 20.0 113.048 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -59.25 -54.66 44.34 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.713 1.375 . . . . 20.0 114.713 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -51.51 -50.7 59.42 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 118.659 -1.216 . . . . 20.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.48 -60.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 114.623 -1.171 . . . . 20.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -49.89 -50.84 44.48 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.668 -0.813 . . . . 20.0 111.792 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -54.3 -56.73 15.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.355 0.872 . . . . 20.0 113.355 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -49.41 72.1 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.641 0.978 . . . . 20.0 113.641 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.87 -48.77 43.55 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.933 2.197 . . . . 20.0 116.933 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -129.23 157.39 41.97 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.3 0.572 . . . . 20.0 110.935 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.2 77.74 4.69 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.001 -1.0 . . . . 20.0 109.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -158.31 146.65 18.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.86 -1.163 . . . . 20.0 107.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.3 m -104.88 -36.42 7.37 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.288 -1.324 . . . . 20.0 110.705 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -62.29 127.37 31.02 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.485 -0.779 . . . . 20.0 110.794 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.92 144.63 10.08 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.523 -1.431 . . . . 20.0 109.523 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -154.01 161.44 41.95 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.431 -0.581 . . . . 20.0 109.431 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.07 136.55 48.39 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 116.976 2.213 . . . . 20.0 116.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.8 ttt -110.68 144.99 38.76 Favored 'General case' 0 N--CA 1.496 1.853 1 N-CA-C 99.724 -4.176 . . . . 20.0 99.724 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.583 HD22 ' H ' ' A' ' 30' ' ' ASN . 6.0 m-80 -44.42 -23.94 0.15 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 114.429 1.27 . . . . 20.0 114.429 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -80.77 -50.19 10.17 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.797 -1.092 . . . . 20.0 111.173 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.8 -177.55 3.07 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.667 -1.235 . . . . 20.0 107.667 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.5 t -86.79 152.04 22.85 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.776 -1.17 . . . . 20.0 111.289 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 30.2 ttp180 -134.81 143.57 47.14 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.464 -1.31 . . . . 20.0 107.464 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.4 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 104.971 -2.233 . . . . 20.0 104.971 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.541 0.686 . . . . 20.0 112.122 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.5 p -140.59 140.12 35.07 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 105.281 -2.118 . . . . 20.0 105.281 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -80.62 10.1 5.26 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 118.979 -1.088 . . . . 20.0 109.528 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -77.99 127.69 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 114.987 -1.006 . . . . 20.0 112.294 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -88.87 166.75 13.76 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 105.794 -1.928 . . . . 20.0 105.794 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 3.4 p -159.48 154.8 25.41 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.822 -1.951 . . . . 20.0 113.397 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -117.51 -12.96 10.31 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.169 -1.832 . . . . 20.0 107.672 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -148.33 139.46 23.27 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.399 1.095 . . . . 20.0 112.81 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -59.69 -28.8 67.62 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.786 -1.097 . . . . 20.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -52.3 -42.22 63.59 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.488 -0.885 . . . . 20.0 109.254 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.78 -43.63 75.34 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.95 -1.023 . . . . 20.0 112.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -50.17 -45.97 53.78 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.315 -1.354 . . . . 20.0 111.717 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -53.61 -59.45 4.59 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.804 1.409 . . . . 20.0 114.804 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -48.96 -53.16 20.97 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.569 -1.252 . . . . 20.0 110.291 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.57 -57.23 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 C-N-CA 119.064 -1.054 . . . . 20.0 111.928 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -47.02 -54.95 9.09 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.886 -0.597 . . . . 20.0 112.57 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -56.0 -50.09 71.83 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 123.834 0.709 . . . . 20.0 112.842 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.29 -48.5 81.47 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.104 -1.038 . . . . 20.0 113.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.88 -50.31 57.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 114.92 1.452 . . . . 20.0 114.92 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -134.02 168.76 18.22 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.338 -0.945 . . . . 20.0 109.422 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -81.75 72.34 8.8 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.286 -1.005 . . . . 20.0 108.286 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.2 p -120.45 -162.5 0.95 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.598 -1.26 . . . . 20.0 107.598 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 p -162.3 -54.81 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 118.567 -1.253 . . . . 20.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -78.43 143.18 36.98 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.01 -1.076 . . . . 20.0 108.439 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.27 147.01 14.19 Favored Glycine 0 N--CA 1.488 2.114 0 C-N-CA 118.914 -1.613 . . . . 20.0 109.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.8 mtpt -134.89 167.09 21.53 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.038 -0.727 . . . . 20.0 109.038 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.22 127.86 48.35 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 114.527 1.306 . . . . 20.0 114.527 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -106.67 145.24 32.23 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 102.089 -3.3 . . . . 20.0 102.089 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 30' ' ' ASN . 10.7 m-80 -44.9 -28.18 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 125.362 1.664 . . . . 20.0 110.125 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -74.53 -55.56 5.79 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.741 -1.184 . . . . 20.0 109.7 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -166.94 179.67 5.14 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.509 -0.876 . . . . 20.0 109.576 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 42.3 t -88.7 158.85 18.07 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.815 -1.554 . . . . 20.0 107.588 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 40.3 ttp180 -143.07 133.22 24.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 104.584 -2.376 . . . . 20.0 104.584 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.3 -1.565 0 C-N-CA 119.013 -1.075 . . . . 20.0 110.228 -179.592 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 112.859 0.689 . . . . 20.0 112.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 p -119.76 154.62 33.92 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.182 -1.784 . . . . 20.0 106.182 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.21 17.83 1.92 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.363 0.601 . . . . 20.0 109.866 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.0 114.54 24.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 116.714 2.116 . . . . 20.0 116.714 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -71.26 160.12 33.39 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.266 -1.383 . . . . 20.0 107.266 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.1 p -156.04 167.44 30.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.775 -1.17 . . . . 20.0 112.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.34 -34.29 0.86 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 113.3 -1.773 . . . . 20.0 107.975 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -120.0 137.43 54.09 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 115.398 -0.819 . . . . 20.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -60.53 -24.59 65.47 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 114.66 1.356 . . . . 20.0 114.66 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -58.38 -20.66 45.87 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -74.92 -45.78 40.24 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.852 1.056 . . . . 20.0 113.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m -54.12 -38.12 65.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 118.547 -1.261 . . . . 20.0 111.45 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -48.18 -68.94 0.14 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.248 0.833 . . . . 20.0 113.248 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 m -50.37 -51.04 49.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.872 -0.731 . . . . 20.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.13 -59.21 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 114.39 -1.277 . . . . 20.0 112.483 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.0 m -55.23 -49.5 71.83 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.414 -0.812 . . . . 20.0 112.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.26 -52.22 53.91 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.819 -0.753 . . . . 20.0 112.773 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.41 -51.57 68.19 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.365 1.246 . . . . 20.0 114.365 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.14 -45.25 81.7 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.642 1.719 . . . . 20.0 115.642 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -120.89 -124.86 0.27 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.918 -0.583 . . . . 20.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.1 62.01 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 122.033 0.92 . . . . 20.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.7 p -123.15 -151.12 0.47 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.94 -1.482 . . . . 20.0 107.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -169.12 -42.63 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 114.939 -1.028 . . . . 20.0 108.436 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -74.51 129.93 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 113.883 -1.508 . . . . 20.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.01 167.89 35.55 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 120.104 -1.046 . . . . 20.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -143.91 173.64 11.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.999 -1.111 . . . . 20.0 107.999 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 t -132.11 125.28 30.95 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.49 1.663 . . . . 20.0 115.49 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.15 149.61 28.29 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 102.968 -2.975 . . . . 20.0 102.968 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -43.15 -29.31 0.36 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.821 1.326 . . . . 20.0 112.245 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.69 -49.43 12.1 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.544 -1.207 . . . . 20.0 112.417 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -161.61 168.11 24.06 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.334 -0.946 . . . . 20.0 112.121 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -83.61 143.58 30.02 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 100.986 -3.709 . . . . 20.0 100.986 179.607 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -130.57 144.31 51.33 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.844 -0.535 . . . . 20.0 110.623 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.5 2.044 0 O-C-N 123.945 0.778 . . . . 20.0 109.964 -179.72 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 113.676 0.991 . . . . 20.0 113.676 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -145.1 141.97 29.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.798 -1.556 . . . . 20.0 106.798 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.31 18.48 1.12 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.813 -0.755 . . . . 20.0 111.988 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -86.84 130.79 36.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -86.07 179.13 7.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.569 -0.852 . . . . 20.0 108.945 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -148.19 177.78 9.11 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 118.149 -1.421 . . . . 20.0 114.07 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 p -144.67 -45.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 111.734 -2.485 . . . . 20.0 104.947 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.9 p -128.74 135.79 49.68 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.058 -1.09 . . . . 20.0 108.058 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -51.57 -21.27 2.41 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 115.698 1.74 . . . . 20.0 115.698 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -61.9 -20.78 64.13 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.653 -0.819 . . . . 20.0 111.345 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.71 -51.21 61.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 116.136 1.902 . . . . 20.0 116.136 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -56.72 -34.55 67.6 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 117.548 -1.661 . . . . 20.0 111.832 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -53.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.596 -1.642 . . . . 20.0 113.43 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.1 p -50.18 -48.57 54.01 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.446 -1.302 . . . . 20.0 111.808 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -53.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.24 -0.984 . . . . 20.0 113.339 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 23.3 m -57.17 -45.2 83.85 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.645 -0.822 . . . . 20.0 111.278 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.46 -50.01 72.96 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.842 -1.143 . . . . 20.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -57.09 -54.51 45.93 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.968 -1.093 . . . . 20.0 113.194 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.61 -53.89 14.17 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 116.751 2.13 . . . . 20.0 116.751 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -117.54 -179.94 3.88 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 115.936 -0.575 . . . . 20.0 111.196 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -105.11 73.91 1.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.239 -0.891 . . . . 20.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 p -132.75 -154.64 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.938 -1.134 . . . . 20.0 107.938 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.2 p -165.61 -45.6 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.155 -1.054 . . . . 20.0 108.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -70.71 139.66 51.23 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 20.0 111.641 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.01 161.26 33.16 Favored Glycine 0 N--CA 1.485 1.926 0 C-N-CA 119.084 -1.532 . . . . 20.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 26.3 pttt -159.23 -173.05 4.0 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.926 -1.509 . . . . 20.0 106.926 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.9 t -143.38 151.36 40.32 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.334 -1.747 . . . . 20.0 113.374 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.0 mtp -113.55 153.01 29.49 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 103.833 -2.655 . . . . 20.0 103.833 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -43.07 -31.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 125.194 1.558 . . . . 20.0 112.103 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -75.14 -49.06 20.79 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.816 -1.153 . . . . 20.0 112.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -163.68 178.6 7.78 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.531 -0.868 . . . . 20.0 111.824 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 150.44 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 104.065 -2.569 . . . . 20.0 104.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -142.42 140.24 31.9 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.422 -0.911 . . . . 20.0 108.814 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.491 1.598 0 O-C-N 124.003 0.814 . . . . 20.0 111.018 -179.703 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.603 0.239 . . . . 20.0 111.285 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.9 p -128.58 147.45 50.71 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.131 -1.803 . . . . 20.0 106.131 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.24 33.11 0.34 Allowed 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.834 -0.746 . . . . 20.0 111.432 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.33 119.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -75.9 162.58 27.99 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.039 -1.464 . . . . 20.0 107.63 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.2 p -158.08 178.5 10.14 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.763 -1.175 . . . . 20.0 112.507 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.2 p -139.83 -37.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 112.689 -2.05 . . . . 20.0 108.379 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -119.72 136.17 54.54 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.646 0.736 . . . . 20.0 109.023 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -58.22 -22.87 53.79 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.193 1.924 . . . . 20.0 116.193 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -61.63 -19.12 61.92 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.3 -0.96 . . . . 20.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -68.79 -55.0 12.63 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 114.768 -1.105 . . . . 20.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -54.32 -34.7 61.57 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.697 -1.138 . . . . 20.0 111.055 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -51.43 -71.52 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.222 -0.991 . . . . 20.0 111.801 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -45.33 -48.58 13.22 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.752 0.787 . . . . 20.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -55.49 -58.48 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-N 114.909 -1.041 . . . . 20.0 113.373 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.46 -31.38 70.38 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.518 -0.873 . . . . 20.0 113.209 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.7 -44.92 80.4 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.034 -1.466 . . . . 20.0 109.555 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.46 -49.91 67.36 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.538 -0.865 . . . . 20.0 111.601 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 10.9 mp -68.71 -60.2 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.963 1.097 . . . . 20.0 113.963 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 20' ' ' LEU . 7.8 m-70 -106.75 -154.1 0.51 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.452 -1.249 . . . . 20.0 110.47 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -141.52 65.29 1.38 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.393 -1.336 . . . . 20.0 107.393 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.5 p -120.7 -156.92 0.7 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.081 -1.418 . . . . 20.0 109.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -163.14 -52.07 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 114.655 -1.157 . . . . 20.0 109.579 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 25' ' ' ARG . 46.1 mtt85 -66.23 115.49 6.26 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 114.402 -1.272 . . . . 20.0 110.808 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.78 163.66 31.84 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 118.891 -1.624 . . . . 20.0 110.679 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -157.62 173.0 17.52 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 114.709 -0.746 . . . . 20.0 110.732 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.8 t -120.12 132.52 55.44 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.873 1.805 . . . . 20.0 115.873 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 148.62 34.75 Favored 'General case' 0 N--CA 1.489 1.505 1 N-CA-C 99.674 -4.195 . . . . 20.0 99.674 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 30' ' ' ASN . 12.2 m-80 -44.94 -31.81 1.4 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.293 0.996 . . . . 20.0 112.476 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.78 -51.18 36.1 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.902 -1.119 . . . . 20.0 111.443 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -165.69 175.55 8.74 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 119.452 -0.899 . . . . 20.0 111.767 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -92.43 142.5 27.35 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 104.769 -2.308 . . . . 20.0 104.769 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -151.34 157.72 42.85 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 118.73 -1.188 . . . . 20.0 109.674 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m . . . . . 0 N--CA 1.491 1.584 0 C-N-CA 119.228 -0.989 . . . . 20.0 110.032 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 114.283 1.216 . . . . 20.0 114.283 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -91.7 152.58 20.14 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 114.168 1.173 . . . . 20.0 114.168 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.7 p -137.64 147.23 44.77 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 104.808 -2.293 . . . . 20.0 104.808 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -80.85 12.91 2.91 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 115.832 -0.622 . . . . 20.0 111.275 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.4 t -85.36 125.22 40.46 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 115.099 -0.955 . . . . 20.0 111.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -83.94 -169.45 2.58 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 106.467 -1.679 . . . . 20.0 106.467 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.6 p -158.05 -178.71 7.5 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 117.076 -1.85 . . . . 20.0 112.702 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -145.86 -45.5 0.21 Allowed 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 112.044 -2.343 . . . . 20.0 105.339 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 75.4 p -133.33 135.49 44.82 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 107.157 -1.423 . . . . 20.0 107.157 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -47.85 -22.08 0.51 Allowed 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 115.062 1.505 . . . . 20.0 115.062 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -48.85 -35.52 14.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.646 1.213 . . . . 20.0 110.323 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.37 -52.61 37.98 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 117.073 2.249 . . . . 20.0 117.073 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' SG ' ' A' ' 17' ' ' CYS . 1.8 m -54.06 -37.85 64.63 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 117.204 -1.798 . . . . 20.0 110.452 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -49.94 -67.38 0.26 Allowed 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 116.325 1.972 . . . . 20.0 116.325 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 m -58.29 -41.49 84.52 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 118.529 -1.268 . . . . 20.0 111.134 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.8 t -57.25 -56.3 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 118.392 -1.323 . . . . 20.0 109.663 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 61.4 m -52.59 -57.61 9.43 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 114.099 1.148 . . . . 20.0 114.099 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -58.51 -34.06 70.52 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.206 -0.998 . . . . 20.0 113.231 -179.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -72.7 -50.45 24.76 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 118.439 -1.304 . . . . 20.0 111.116 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mp -63.24 -48.48 78.06 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.414 1.635 . . . . 20.0 115.414 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -126.33 172.98 9.67 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.257 -0.883 . . . . 20.0 108.822 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.43 74.18 9.42 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.833 -1.173 . . . . 20.0 107.833 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.5 p -138.55 -166.61 2.03 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.581 -1.19 . . . . 20.0 107.868 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 18' ' ' GLN . 61.8 m -165.02 -48.38 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.396 1.685 . . . . 20.0 107.306 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -68.88 127.89 34.72 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.424 -2.171 . . . . 20.0 111.481 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.77 159.7 28.43 Favored Glycine 0 N--CA 1.481 1.679 0 CA-C-N 113.621 -1.627 . . . . 20.0 109.242 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -160.59 144.59 13.84 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.072 -1.455 . . . . 20.0 107.072 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 50.7 t -103.78 155.79 18.33 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 115.898 1.814 . . . . 20.0 115.898 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 43.0 tpp -122.62 149.61 43.76 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 102.891 -3.003 . . . . 20.0 102.891 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -43.06 -30.83 0.47 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.681 1.238 . . . . 20.0 112.464 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -73.99 -51.86 14.61 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 118.85 -1.14 . . . . 20.0 110.474 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -161.86 178.64 8.74 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 118.79 -1.164 . . . . 20.0 110.601 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.82 152.04 27.1 Favored 'General case' 0 C--N 1.295 -1.765 1 N-CA-C 99.536 -4.246 . . . . 20.0 99.536 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -138.13 149.68 46.13 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 107.988 -1.115 . . . . 20.0 107.988 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.1 m -108.13 156.96 18.72 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 124.101 0.875 . . . . 20.0 111.624 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -136.78 154.48 50.54 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 113.368 -1.742 . . . . 20.0 107.484 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--N 1.301 -1.52 0 CA-C-O 116.237 -1.839 . . . . 20.0 107.333 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 113.454 0.909 . . . . 20.0 113.454 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -98.36 144.72 27.45 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 120.189 -0.604 . . . . 20.0 111.951 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.4 p -122.3 149.45 43.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 105.567 -2.012 . . . . 20.0 105.567 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -82.52 28.05 0.49 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-O 121.267 0.556 . . . . 20.0 110.376 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.31 126.12 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 CA-C-N 115.084 -0.962 . . . . 20.0 113.361 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -93.09 131.43 38.13 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 105.017 -2.216 . . . . 20.0 105.017 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.82 174.75 6.95 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 118.815 -1.154 . . . . 20.0 112.721 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.0 p -104.99 -35.5 7.64 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 104.991 -2.226 . . . . 20.0 104.991 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -152.88 -60.4 0.15 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 113.942 -1.481 . . . . 20.0 110.384 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.1 p -177.96 -29.23 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 121.23 0.538 . . . . 20.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -47.8 -31.73 5.25 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.591 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.73 -61.52 2.36 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.302 -1.317 . . . . 20.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -50.24 -34.66 23.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 115.981 1.845 . . . . 20.0 115.981 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -54.23 -69.07 0.13 Allowed 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 117.56 -1.656 . . . . 20.0 112.842 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.3 m -52.64 -45.79 66.82 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 120.09 -0.644 . . . . 20.0 111.939 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -56.57 -57.76 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.191 -0.604 . . . . 20.0 112.051 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 79.5 m -50.17 -50.77 48.06 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.386 -0.824 . . . . 20.0 111.737 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -57.03 -48.65 77.99 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.664 -1.153 . . . . 20.0 113.555 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -68.46 -45.22 73.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 114.517 1.302 . . . . 20.0 114.517 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.3 -44.12 63.18 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 117.01 2.226 . . . . 20.0 117.01 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -128.86 8.9 5.77 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 114.191 1.182 . . . . 20.0 114.191 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 50.51 78.92 0.09 Allowed 'General case' 0 N--CA 1.505 2.303 0 CA-C-O 122.795 1.283 . . . . 20.0 112.037 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 66.1 p -134.82 -157.43 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.607 -2.088 . . . . 20.0 108.837 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m -150.15 -41.01 0.13 Allowed 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.004 -0.998 . . . . 20.0 111.261 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -83.94 109.25 17.46 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 119.378 -0.929 . . . . 20.0 110.224 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.18 148.5 19.82 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 106.803 -2.519 . . . . 20.0 106.803 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -156.7 -177.4 6.58 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 119.431 -0.907 . . . . 20.0 108.617 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 7.3 t -153.35 141.65 20.58 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 116.585 2.069 . . . . 20.0 116.585 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 33.0 ttm -94.68 152.51 18.42 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 103.188 -2.893 . . . . 20.0 103.188 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.63 -30.04 0.85 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 125.072 1.482 . . . . 20.0 111.058 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.8 -52.09 9.46 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.679 -1.146 . . . . 20.0 109.606 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -165.28 166.56 18.68 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 115.743 1.757 . . . . 20.0 115.743 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.81 143.76 32.57 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 111.966 -2.379 . . . . 20.0 110.383 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' N ' ' SG ' ' A' ' 13' ' ' CYS . 13.3 ptp180 -147.29 157.19 43.5 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.05 -1.432 . . . . 20.0 108.593 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.2 m -119.06 148.74 42.69 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.034 -0.985 . . . . 20.0 111.716 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -117.6 163.08 16.99 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.799 -1.926 . . . . 20.0 105.799 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 116.978 -1.486 . . . . 20.0 113.067 -179.741 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 107.585 -1.265 . . . . 20.0 107.585 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -91.1 157.87 16.98 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 121.824 0.821 . . . . 20.0 112.046 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.9 p -145.55 135.64 23.77 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 106.103 -1.814 . . . . 20.0 106.103 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -83.07 17.57 1.93 Allowed 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 115.438 -0.801 . . . . 20.0 110.272 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -85.2 125.83 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 115.417 -0.81 . . . . 20.0 112.841 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -83.7 165.02 19.27 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 105.965 -1.865 . . . . 20.0 105.965 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 1.9 p -160.11 150.15 18.27 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.625 -1.63 . . . . 20.0 114.016 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.8 p -109.05 -37.67 5.76 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 113.973 -1.467 . . . . 20.0 108.797 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.0 p -125.98 137.35 53.67 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.536 -1.211 . . . . 20.0 110.29 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -58.21 -21.86 49.54 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 115.34 -0.845 . . . . 20.0 112.33 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -50.77 -41.47 56.84 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.899 1.333 . . . . 20.0 109.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -69.74 -45.01 69.09 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 113.271 -1.786 . . . . 20.0 112.646 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.4 m -51.34 -43.03 61.67 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.357 -1.337 . . . . 20.0 111.681 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -55.93 -61.22 2.52 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 114.257 1.206 . . . . 20.0 114.257 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -48.35 -48.74 36.23 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 118.943 -1.103 . . . . 20.0 110.411 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -56.13 -60.92 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 CA-C-N 115.391 -0.822 . . . . 20.0 112.821 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.5 m -50.89 -48.54 60.39 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 119.375 -0.93 . . . . 20.0 112.361 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -56.84 -51.42 69.1 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.245 0.832 . . . . 20.0 113.245 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.95 -46.26 90.1 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.223 -0.991 . . . . 20.0 113.232 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.32 -51.51 51.62 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 114.055 1.131 . . . . 20.0 114.055 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.8 160.88 33.08 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 120.215 -0.594 . . . . 20.0 110.926 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -73.29 85.79 1.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 107.487 -1.301 . . . . 20.0 107.487 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.9 p -137.58 -164.52 1.62 Allowed 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.053 -0.976 . . . . 20.0 110.16 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.1 p -169.21 -43.05 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.337 -1.756 . . . . 20.0 106.388 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -80.71 111.73 17.42 Favored 'General case' 0 N--CA 1.488 1.452 0 CA-C-N 114.388 -1.278 . . . . 20.0 112.389 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.9 158.22 27.57 Favored Glycine 0 N--CA 1.486 2.013 0 CA-C-N 114.202 -1.363 . . . . 20.0 109.74 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 164.87 38.21 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 114.786 -0.707 . . . . 20.0 110.469 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.1 t -108.01 136.01 48.41 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 115.637 1.717 . . . . 20.0 115.637 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 26.7 mmm -114.02 150.53 33.77 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 101.853 -3.388 . . . . 20.0 101.853 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -43.41 -25.6 0.15 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 125.375 1.672 . . . . 20.0 114.157 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -85.69 -49.03 8.3 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.267 -0.973 . . . . 20.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -170.91 -179.91 2.94 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.624 -0.831 . . . . 20.0 109.125 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.8 t -85.48 156.13 20.93 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 118.012 -1.475 . . . . 20.0 109.12 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 43.2 ttm180 -145.17 145.41 31.34 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.425 -1.324 . . . . 20.0 107.425 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 m -116.65 155.92 27.96 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 104.793 -2.299 . . . . 20.0 104.793 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -107.79 -49.57 3.2 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.812 1.412 . . . . 20.0 114.812 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 116.999 -1.477 . . . . 20.0 110.659 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 108.799 -0.815 . . . . 20.0 108.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -80.75 150.68 29.18 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 116.688 2.107 . . . . 20.0 116.688 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.9 p -134.12 149.16 51.07 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 101.529 -3.508 . . . . 20.0 101.529 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -81.48 18.35 1.2 Allowed 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 118.423 -1.311 . . . . 20.0 111.765 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.7 t -89.18 122.73 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 N-CA-C 115.264 1.579 . . . . 20.0 115.264 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 m -86.41 -173.32 4.47 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.42 -1.696 . . . . 20.0 106.42 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.5 p -156.84 -175.61 5.52 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 116.896 -1.922 . . . . 20.0 113.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.2 p -140.17 -42.29 0.42 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 110.665 -2.971 . . . . 20.0 105.157 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.3 p -137.68 138.93 39.9 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.923 -1.139 . . . . 20.0 107.923 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.6 p -54.66 -18.07 4.12 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.842 1.053 . . . . 20.0 113.842 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 tttp -52.11 -33.47 39.83 Favored 'General case' 0 N--CA 1.492 1.665 0 CA-C-O 122.389 1.09 . . . . 20.0 108.712 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -68.06 -49.47 61.16 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.354 -1.294 . . . . 20.0 113.067 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 68.4 m -51.19 -41.01 59.93 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 118.775 -1.17 . . . . 20.0 113.592 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -55.65 -61.56 2.27 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.631 -1.228 . . . . 20.0 112.465 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.6 m -50.16 -50.94 47.4 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 118.521 -1.272 . . . . 20.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -53.36 -60.93 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-N 115.381 -0.827 . . . . 20.0 113.073 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 89.6 m -51.18 -45.46 61.78 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 115.394 -0.821 . . . . 20.0 112.734 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -59.72 -52.32 66.01 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.134 -1.026 . . . . 20.0 111.76 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.63 -53.15 58.49 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.704 0.764 . . . . 20.0 112.294 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.23 -54.52 14.34 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 116.756 2.132 . . . . 20.0 116.756 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -120.62 160.22 23.69 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-N 115.617 -0.72 . . . . 20.0 112.265 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -83.08 71.39 10.14 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 115.049 -0.978 . . . . 20.0 108.637 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.9 p -124.06 -161.79 1.02 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 115.138 -0.937 . . . . 20.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.0 t -158.1 -46.48 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.205 -1.362 . . . . 20.0 109.238 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -81.06 144.76 31.51 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 114.93 -1.032 . . . . 20.0 108.406 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.47 146.04 10.97 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 108.455 -1.858 . . . . 20.0 108.455 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -147.89 175.36 11.02 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 107.925 -1.139 . . . . 20.0 107.925 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 t -150.86 133.29 15.54 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 118.24 -1.384 . . . . 20.0 113.964 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.0 tpp -93.05 155.43 17.52 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 102.805 -3.035 . . . . 20.0 102.805 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -43.67 -29.85 0.55 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 126.012 2.07 . . . . 20.0 109.419 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.12 -61.38 1.88 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.348 -1.296 . . . . 20.0 108.7 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -168.59 175.23 6.28 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 120.174 -0.611 . . . . 20.0 112.628 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 51.6 t -87.19 152.16 22.56 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 122.322 1.058 . . . . 20.0 112.515 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 11.2 ptt180 -148.34 140.85 24.39 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 106.087 -1.82 . . . . 20.0 106.087 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 36.9 m -89.09 162.67 15.85 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 114.639 -1.164 . . . . 20.0 110.796 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -131.37 152.38 50.66 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.739 -1.119 . . . . 20.0 110.311 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.304 -1.373 0 CA-C-O 116.533 -1.699 . . . . 20.0 109.367 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 113.888 1.07 . . . . 20.0 113.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -88.92 151.6 22.23 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 115.152 -0.931 . . . . 20.0 111.404 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.3 p -144.81 131.98 20.53 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 105.976 -1.861 . . . . 20.0 105.976 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -82.42 9.85 8.31 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-N 114.554 -1.203 . . . . 20.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.7 t -75.59 134.12 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 CA-C-N 114.812 -1.086 . . . . 20.0 110.571 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -91.92 -178.99 5.18 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.205 -1.406 . . . . 20.0 107.205 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.0 p -152.87 -168.23 2.98 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 117.235 -1.786 . . . . 20.0 113.567 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.9 p -146.7 -43.62 0.19 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 112.316 -2.22 . . . . 20.0 106.137 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.1 p -142.45 140.98 32.12 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.019 -1.104 . . . . 20.0 108.019 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -49.64 -21.91 1.16 Allowed 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 113.787 1.032 . . . . 20.0 113.787 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -51.94 -34.87 43.89 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 122.09 0.947 . . . . 20.0 109.798 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -75.46 -40.21 57.74 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 114.534 -1.212 . . . . 20.0 113.081 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.666 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 36.7 m -54.92 -42.57 72.4 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 117.684 -1.606 . . . . 20.0 112.17 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -55.3 -52.73 62.52 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.255 1.206 . . . . 20.0 114.255 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.3 m -54.26 -54.66 37.06 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 118.639 -1.225 . . . . 20.0 109.491 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.4 t -52.77 -56.28 8.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 CA-C-N 115.164 -0.925 . . . . 20.0 111.68 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.4 m -52.88 -51.28 61.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.594 -0.843 . . . . 20.0 112.221 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -57.35 -48.84 77.97 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.247 -0.981 . . . . 20.0 112.062 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -56.66 -51.5 68.51 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.969 0.729 . . . . 20.0 112.969 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.44 -48.34 34.5 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 117.127 2.269 . . . . 20.0 117.127 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -128.12 158.52 37.79 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.529 0.68 . . . . 20.0 112.092 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -79.3 76.48 5.86 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-N 113.857 -1.52 . . . . 20.0 110.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 t -158.78 148.85 19.51 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.12 -1.437 . . . . 20.0 107.12 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.2 m -103.88 -28.07 11.82 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.633 -1.167 . . . . 20.0 111.888 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -70.55 125.36 26.58 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.183 -0.917 . . . . 20.0 113.346 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.88 139.37 6.32 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.982 -1.104 . . . . 20.0 111.358 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.98 174.19 11.49 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.621 -1.622 . . . . 20.0 106.621 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.666 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 54.0 t -137.73 145.81 42.95 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 118.544 -1.262 . . . . 20.0 113.08 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.77 148.21 28.74 Favored 'General case' 0 C--N 1.305 -1.349 1 N-CA-C 99.96 -4.089 . . . . 20.0 99.96 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.44 -28.79 0.6 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 124.988 1.43 . . . . 20.0 112.035 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -74.2 -52.18 13.22 Favored 'General case' 0 C--N 1.302 -1.489 0 C-N-CA 119.215 -0.994 . . . . 20.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -165.95 178.45 6.44 Favored 'General case' 0 N--CA 1.504 2.225 0 C-N-CA 120.414 -0.514 . . . . 20.0 110.696 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.527 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 48.7 t -87.87 160.31 18.03 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 119.669 -0.813 . . . . 20.0 111.203 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 39.9 ttm180 -148.33 140.48 24.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.786 -1.561 . . . . 20.0 106.786 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.8 m -112.41 171.4 7.54 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 106.174 -1.787 . . . . 20.0 106.174 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -130.0 170.77 13.55 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 124.203 0.939 . . . . 20.0 109.235 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 116.9 -1.524 . . . . 20.0 108.854 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 115.09 1.515 . . . . 20.0 115.09 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -91.41 149.92 21.49 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 114.114 -1.403 . . . . 20.0 113.494 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 p -142.09 136.93 30.62 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.493 -1.669 . . . . 20.0 106.493 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -84.45 38.66 0.69 Allowed 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 115.783 -0.644 . . . . 20.0 111.03 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG11 HG21 ' A' ' 16' ' ' VAL . 55.7 t -99.15 120.83 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 CA-C-N 114.294 -1.321 . . . . 20.0 109.586 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 m -76.19 165.73 24.47 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 118.985 -1.086 . . . . 20.0 108.412 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 p -157.97 134.42 9.6 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.015 -1.074 . . . . 20.0 113.859 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.4 m -99.0 -30.78 12.15 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 114.608 -1.178 . . . . 20.0 109.753 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.9 p -136.73 138.68 41.23 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.914 -1.039 . . . . 20.0 110.693 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.2 p -47.3 -30.11 2.92 Favored 'General case' 0 N--CA 1.503 2.192 0 N-CA-C 116.84 2.163 . . . . 20.0 116.84 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -56.23 -27.64 55.58 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.907 0.861 . . . . 20.0 111.45 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -63.47 -52.7 60.24 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 122.53 1.157 . . . . 20.0 110.178 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.49 -38.49 59.62 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.154 -1.839 . . . . 20.0 113.641 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -58.84 -56.45 22.1 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 118.068 -1.453 . . . . 20.0 112.513 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -49.68 -50.29 44.23 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.491 -1.283 . . . . 20.0 110.266 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 HG11 ' A' ' 5' ' ' VAL . 70.2 t -56.63 -55.05 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 113.624 0.972 . . . . 20.0 113.624 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.536 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 59.3 m -50.83 -41.28 57.46 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -69.8 -46.23 66.17 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.212 -0.995 . . . . 20.0 112.572 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -57.76 -61.16 2.72 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 117.759 2.503 . . . . 20.0 117.759 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.658 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 65.5 mt -84.47 -27.46 27.46 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 113.82 1.044 . . . . 20.0 113.82 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.658 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -111.93 179.74 3.92 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 124.727 1.267 . . . . 20.0 111.832 -178.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -131.16 65.28 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.928 -1.508 . . . . 20.0 106.928 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 24' ' ' SER . 10.1 t -142.11 -139.41 0.12 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.183 -2.28 . . . . 20.0 106.372 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 23' ' ' THR . 25.7 t -167.78 -49.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 CA-C-O 121.8 0.809 . . . . 20.0 109.787 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -64.65 118.76 9.36 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 113.415 -1.72 . . . . 20.0 112.605 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.465 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -156.6 156.39 27.1 Favored Glycine 0 N--CA 1.486 2.002 0 N-CA-C 108.783 -1.727 . . . . 20.0 108.783 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -155.52 171.47 19.87 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 119.364 -0.935 . . . . 20.0 109.306 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.3 t -113.61 139.62 48.86 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 118.541 2.793 . . . . 20.0 118.541 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 31.3 mtp -116.25 149.34 39.35 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 102.532 -3.136 . . . . 20.0 102.532 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -39.43 -30.52 0.07 Allowed 'General case' 0 N--CA 1.5 2.041 0 O-C-N 125.857 1.973 . . . . 20.0 113.107 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -79.96 -51.33 9.21 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 118.925 -1.11 . . . . 20.0 112.29 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -170.33 -177.12 2.37 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 108.891 -0.781 . . . . 20.0 108.891 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.4 t -87.97 151.97 22.4 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.716 -1.194 . . . . 20.0 110.503 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 ttm180 -138.56 142.18 39.24 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 105.687 -1.968 . . . . 20.0 105.687 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.55 160.01 27.95 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.282 -1.747 . . . . 20.0 106.282 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -111.24 157.03 20.58 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 123.868 0.73 . . . . 20.0 109.652 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 117.166 -1.397 . . . . 20.0 111.112 -179.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.413 0 N-CA-C 109.452 -0.573 . . . . 20.0 109.452 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -102.56 145.82 29.05 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 120.13 -0.628 . . . . 20.0 112.34 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -140.08 143.86 36.51 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 105.261 -2.126 . . . . 20.0 105.261 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -81.14 25.4 0.48 Allowed 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.385 -0.926 . . . . 20.0 111.985 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 92.6 t -87.75 119.79 35.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 115.134 -0.939 . . . . 20.0 110.376 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -80.83 -172.0 3.45 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 107.591 -1.263 . . . . 20.0 107.591 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -159.75 157.57 29.63 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 117.537 -1.665 . . . . 20.0 111.189 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.4 p -93.77 -32.97 13.78 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 107.606 -1.257 . . . . 20.0 107.606 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -146.82 -69.59 0.25 Allowed 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 115.133 -0.94 . . . . 20.0 111.832 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.9 p -174.9 -26.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.483 0.659 . . . . 20.0 111.891 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -50.66 -26.65 5.7 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.697 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.53 -48.29 56.23 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 115.2 -0.909 . . . . 20.0 112.216 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 28' ' ' CYS . 49.2 m -54.37 -40.34 68.04 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 117.655 -1.618 . . . . 20.0 113.561 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -47.11 -65.63 0.53 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 124.916 1.385 . . . . 20.0 113.773 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 m -55.16 -46.83 75.75 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 118.809 -1.156 . . . . 20.0 111.837 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.25 -56.36 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 113.444 0.905 . . . . 20.0 113.444 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HA ' ' ND1' ' A' ' 21' ' ' HIS . 83.9 m -50.35 -47.02 56.14 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.673 0.749 . . . . 20.0 110.377 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' HA ' ' H ' ' A' ' 23' ' ' THR . 17.7 tt0 -66.93 -45.99 76.17 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 118.213 -1.395 . . . . 20.0 113.572 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -62.39 -52.85 61.96 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 117.08 2.252 . . . . 20.0 117.08 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.704 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 79.1 mt -86.96 -30.99 20.89 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 115.683 1.735 . . . . 20.0 115.683 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.704 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -104.71 -24.99 12.86 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 115.631 1.715 . . . . 20.0 115.631 -178.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t30 63.37 66.99 0.68 Allowed 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 122.635 1.207 . . . . 20.0 108.8 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.427 ' H ' ' HA ' ' A' ' 18' ' ' GLN . 9.7 t -157.9 149.84 21.98 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.705 -2.043 . . . . 20.0 105.878 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.0 p -87.37 -43.75 11.89 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 120.035 -0.666 . . . . 20.0 112.196 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -64.38 124.59 22.16 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 115.656 1.725 . . . . 20.0 115.656 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -165.33 154.54 25.33 Favored Glycine 0 N--CA 1.486 2.032 0 CA-C-N 112.775 -2.011 . . . . 20.0 109.095 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -158.1 171.31 20.45 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 109.112 -0.699 . . . . 20.0 109.112 -179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.625 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 33.9 t -140.94 145.75 36.47 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 116.534 2.05 . . . . 20.0 116.534 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 mtt -105.21 152.13 23.23 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 103.45 -2.796 . . . . 20.0 103.45 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.577 HD22 ' H ' ' A' ' 30' ' ' ASN . 3.7 m-80 -42.36 -31.84 0.45 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 125.461 1.726 . . . . 20.0 111.068 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -68.67 -58.98 3.46 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 114.062 -1.426 . . . . 20.0 110.114 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -166.41 176.1 7.68 Favored 'General case' 0 N--CA 1.503 2.207 0 C-N-CA 119.911 -0.716 . . . . 20.0 112.041 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 7.8 t -81.74 148.46 28.92 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 114.845 -1.07 . . . . 20.0 111.291 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 38.5 ttm180 -142.21 143.95 33.15 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 107.945 -1.131 . . . . 20.0 107.945 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 56.6 m -120.05 172.7 7.56 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 123.644 0.59 . . . . 20.0 109.85 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -132.45 158.51 41.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 114.566 -1.197 . . . . 20.0 110.483 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.93 -1.51 . . . . 20.0 109.764 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 108.802 -0.814 . . . . 20.0 108.802 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -117.95 148.26 42.36 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.577 0.954 . . . . 20.0 113.577 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -141.06 144.42 34.95 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.098 -1.445 . . . . 20.0 107.098 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -82.61 9.91 8.49 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -77.32 128.93 37.91 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 113.984 1.105 . . . . 20.0 113.984 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -82.68 168.7 16.99 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.98 -1.489 . . . . 20.0 106.98 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.8 p -159.56 150.98 19.96 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 118.665 -1.214 . . . . 20.0 112.678 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -117.01 -25.01 7.35 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 124.463 1.102 . . . . 20.0 108.183 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.0 p -141.73 139.65 32.94 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 115.084 -0.962 . . . . 20.0 108.447 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.8 p -56.84 -20.0 20.48 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.271 1.212 . . . . 20.0 114.271 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -57.4 -29.83 64.42 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.643 0.735 . . . . 20.0 109.559 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -76.03 -48.01 22.58 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.802 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.0 m -50.83 -43.24 59.05 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 114.252 -1.34 . . . . 20.0 113.048 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -59.25 -54.66 44.34 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.713 1.375 . . . . 20.0 114.713 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.7 t -51.51 -50.7 59.42 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 118.659 -1.216 . . . . 20.0 110.026 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.4 t -54.48 -60.97 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 114.623 -1.171 . . . . 20.0 111.997 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.3 m -49.89 -50.84 44.48 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 119.668 -0.813 . . . . 20.0 111.792 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -54.3 -56.73 15.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.355 0.872 . . . . 20.0 113.355 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -49.41 72.1 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.641 0.978 . . . . 20.0 113.641 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -71.87 -48.77 43.55 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 116.933 2.197 . . . . 20.0 116.933 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -129.23 157.39 41.97 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.3 0.572 . . . . 20.0 110.935 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -78.2 77.74 4.69 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.001 -1.0 . . . . 20.0 109.889 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 t -158.31 146.65 18.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.86 -1.163 . . . . 20.0 107.86 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.3 m -104.88 -36.42 7.37 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.288 -1.324 . . . . 20.0 110.705 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -62.29 127.37 31.02 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.485 -0.779 . . . . 20.0 110.794 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.92 144.63 10.08 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.523 -1.431 . . . . 20.0 109.523 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -154.01 161.44 41.95 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 109.431 -0.581 . . . . 20.0 109.431 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -109.07 136.55 48.39 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 116.976 2.213 . . . . 20.0 116.976 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 11.8 ttt -110.68 144.99 38.76 Favored 'General case' 0 N--CA 1.496 1.853 1 N-CA-C 99.724 -4.176 . . . . 20.0 99.724 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.583 HD22 ' H ' ' A' ' 30' ' ' ASN . 6.0 m-80 -44.42 -23.94 0.15 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 114.429 1.27 . . . . 20.0 114.429 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -80.77 -50.19 10.17 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.797 -1.092 . . . . 20.0 111.173 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -168.8 -177.55 3.07 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 107.667 -1.235 . . . . 20.0 107.667 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 49.5 t -86.79 152.04 22.85 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.776 -1.17 . . . . 20.0 111.289 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 30.2 ttp180 -134.81 143.57 47.14 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.464 -1.31 . . . . 20.0 107.464 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.4 m -123.77 -174.26 2.94 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 104.971 -2.233 . . . . 20.0 104.971 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -137.65 152.5 49.38 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.93 -0.708 . . . . 20.0 109.881 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 116.652 -1.642 . . . . 20.0 110.059 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 115.36 1.615 . . . . 20.0 115.36 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -85.04 152.7 23.23 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 114.333 -1.303 . . . . 20.0 112.122 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.5 p -140.59 140.12 35.07 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 105.281 -2.118 . . . . 20.0 105.281 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -80.62 10.1 5.26 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 118.979 -1.088 . . . . 20.0 109.528 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.6 t -77.99 127.69 38.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 114.987 -1.006 . . . . 20.0 112.294 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -88.87 166.75 13.76 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 105.794 -1.928 . . . . 20.0 105.794 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 3.4 p -159.48 154.8 25.41 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 116.822 -1.951 . . . . 20.0 113.397 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -117.51 -12.96 10.31 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 113.169 -1.832 . . . . 20.0 107.672 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 p -148.33 139.46 23.27 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 122.399 1.095 . . . . 20.0 112.81 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 p -59.69 -28.8 67.62 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.786 -1.097 . . . . 20.0 110.8 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -52.3 -42.22 63.59 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.488 -0.885 . . . . 20.0 109.254 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -68.78 -43.63 75.34 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 114.95 -1.023 . . . . 20.0 112.587 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 m -50.17 -45.97 53.78 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 118.315 -1.354 . . . . 20.0 111.717 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -53.61 -59.45 4.59 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 114.804 1.409 . . . . 20.0 114.804 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -48.96 -53.16 20.97 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 118.569 -1.252 . . . . 20.0 110.291 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.57 -57.23 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 C-N-CA 119.064 -1.054 . . . . 20.0 111.928 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -47.02 -54.95 9.09 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.886 -0.597 . . . . 20.0 112.57 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -56.0 -50.09 71.83 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 123.834 0.709 . . . . 20.0 112.842 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -60.29 -48.5 81.47 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 119.104 -1.038 . . . . 20.0 113.074 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.88 -50.31 57.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 114.92 1.452 . . . . 20.0 114.92 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -134.02 168.76 18.22 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 119.338 -0.945 . . . . 20.0 109.422 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -81.75 72.34 8.8 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.286 -1.005 . . . . 20.0 108.286 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.2 p -120.45 -162.5 0.95 Allowed 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 107.598 -1.26 . . . . 20.0 107.598 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.5 p -162.3 -54.81 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.668 0 C-N-CA 118.567 -1.253 . . . . 20.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.6 mtt-85 -78.43 143.18 36.98 Favored 'General case' 0 C--N 1.301 -1.539 0 C-N-CA 119.01 -1.076 . . . . 20.0 108.439 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -158.27 147.01 14.19 Favored Glycine 0 N--CA 1.488 2.114 0 C-N-CA 118.914 -1.613 . . . . 20.0 109.14 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.8 mtpt -134.89 167.09 21.53 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 109.038 -0.727 . . . . 20.0 109.038 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -124.22 127.86 48.35 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 114.527 1.306 . . . . 20.0 114.527 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -106.67 145.24 32.23 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 102.089 -3.3 . . . . 20.0 102.089 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' ND2' ' H ' ' A' ' 30' ' ' ASN . 10.7 m-80 -44.9 -28.18 0.62 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 125.362 1.664 . . . . 20.0 110.125 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -74.53 -55.56 5.79 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 118.741 -1.184 . . . . 20.0 109.7 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -166.94 179.67 5.14 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.509 -0.876 . . . . 20.0 109.576 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 34' ' ' ARG . 42.3 t -88.7 158.85 18.07 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 117.815 -1.554 . . . . 20.0 107.588 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 40.3 ttp180 -143.07 133.22 24.42 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 104.584 -2.376 . . . . 20.0 104.584 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.9 m -107.02 159.57 16.19 Favored 'General case' 0 C--N 1.3 -1.565 0 C-N-CA 119.013 -1.075 . . . . 20.0 110.228 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -130.69 157.3 43.17 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.708 -1.587 . . . . 20.0 108.609 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.302 -1.495 0 CA-C-O 116.936 -1.507 . . . . 20.0 108.484 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 107.533 -1.284 . . . . 20.0 107.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -107.8 134.29 50.96 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 119.82 -0.752 . . . . 20.0 112.859 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 p -119.76 154.62 33.92 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.182 -1.784 . . . . 20.0 106.182 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -83.21 17.83 1.92 Allowed 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.363 0.601 . . . . 20.0 109.866 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.0 114.54 24.67 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 N-CA-C 116.714 2.116 . . . . 20.0 116.714 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -71.26 160.12 33.39 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.266 -1.383 . . . . 20.0 107.266 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.1 p -156.04 167.44 30.41 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 118.775 -1.17 . . . . 20.0 112.587 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -135.34 -34.29 0.86 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 113.3 -1.773 . . . . 20.0 107.975 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.5 p -120.0 137.43 54.09 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 115.398 -0.819 . . . . 20.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -60.53 -24.59 65.47 Favored 'General case' 0 N--CA 1.5 2.068 0 N-CA-C 114.66 1.356 . . . . 20.0 114.66 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -58.38 -20.66 45.87 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -74.92 -45.78 40.24 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 113.852 1.056 . . . . 20.0 113.852 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m -54.12 -38.12 65.09 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 118.547 -1.261 . . . . 20.0 111.45 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -48.18 -68.94 0.14 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.248 0.833 . . . . 20.0 113.248 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 52.5 m -50.37 -51.04 49.34 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 119.872 -0.731 . . . . 20.0 111.816 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -51.13 -59.21 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 114.39 -1.277 . . . . 20.0 112.483 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.0 m -55.23 -49.5 71.83 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.414 -0.812 . . . . 20.0 112.96 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.26 -52.22 53.91 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 119.819 -0.753 . . . . 20.0 112.773 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.41 -51.57 68.19 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.365 1.246 . . . . 20.0 114.365 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.14 -45.25 81.7 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 115.642 1.719 . . . . 20.0 115.642 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -120.89 -124.86 0.27 Allowed 'General case' 0 N--CA 1.492 1.653 0 CA-C-N 115.918 -0.583 . . . . 20.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -164.1 62.01 0.15 Allowed 'General case' 0 N--CA 1.494 1.766 0 CA-C-O 122.033 0.92 . . . . 20.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.7 p -123.15 -151.12 0.47 Allowed 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 113.94 -1.482 . . . . 20.0 107.744 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.2 p -169.12 -42.63 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 CA-C-N 114.939 -1.028 . . . . 20.0 108.436 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -74.51 129.93 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 113.883 -1.508 . . . . 20.0 111.181 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.01 167.89 35.55 Favored Glycine 0 N--CA 1.491 2.314 0 C-N-CA 120.104 -1.046 . . . . 20.0 110.558 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -143.91 173.64 11.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.999 -1.111 . . . . 20.0 107.999 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 t -132.11 125.28 30.95 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.49 1.663 . . . . 20.0 115.49 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.15 149.61 28.29 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 102.968 -2.975 . . . . 20.0 102.968 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -43.15 -29.31 0.36 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.821 1.326 . . . . 20.0 112.245 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -79.69 -49.43 12.1 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 114.544 -1.207 . . . . 20.0 112.417 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -161.61 168.11 24.06 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.334 -0.946 . . . . 20.0 112.121 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -83.61 143.58 30.02 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 100.986 -3.709 . . . . 20.0 100.986 179.607 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -130.57 144.31 51.33 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.844 -0.535 . . . . 20.0 110.623 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.3 m -108.17 151.94 25.24 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 123.945 0.778 . . . . 20.0 109.964 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -111.83 155.43 23.6 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 116.051 -0.522 . . . . 20.0 109.834 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 117.103 -1.427 . . . . 20.0 109.867 -179.811 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 107.438 -1.319 . . . . 20.0 107.438 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -86.1 149.22 25.29 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 113.676 0.991 . . . . 20.0 113.676 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.8 p -145.1 141.97 29.28 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 106.798 -1.556 . . . . 20.0 106.798 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -81.31 18.48 1.12 Allowed 'General case' 0 N--CA 1.492 1.654 0 C-N-CA 119.813 -0.755 . . . . 20.0 111.988 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.8 t -86.84 130.79 36.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 113.484 0.92 . . . . 20.0 113.484 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 t -86.07 179.13 7.02 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 119.569 -0.852 . . . . 20.0 108.945 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.6 p -148.19 177.78 9.11 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 118.149 -1.421 . . . . 20.0 114.07 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.0 p -144.67 -45.56 0.24 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 111.734 -2.485 . . . . 20.0 104.947 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.9 p -128.74 135.79 49.68 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.058 -1.09 . . . . 20.0 108.058 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -51.57 -21.27 2.41 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 115.698 1.74 . . . . 20.0 115.698 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -61.9 -20.78 64.13 Favored 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 119.653 -0.819 . . . . 20.0 111.345 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -65.71 -51.21 61.12 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 116.136 1.902 . . . . 20.0 116.136 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' SG ' ' O ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -56.72 -34.55 67.6 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 117.548 -1.661 . . . . 20.0 111.832 -179.354 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -53.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 117.596 -1.642 . . . . 20.0 113.43 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.1 p -50.18 -48.57 54.01 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.446 -1.302 . . . . 20.0 111.808 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.61 -53.84 32.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 119.24 -0.984 . . . . 20.0 113.339 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 13' ' ' CYS . 23.3 m -57.17 -45.2 83.85 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.645 -0.822 . . . . 20.0 111.278 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -56.46 -50.01 72.96 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 118.842 -1.143 . . . . 20.0 110.974 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -57.09 -54.51 45.93 Favored 'General case' 0 C--N 1.301 -1.502 0 C-N-CA 118.968 -1.093 . . . . 20.0 113.194 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -70.61 -53.89 14.17 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 116.751 2.13 . . . . 20.0 116.751 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -117.54 -179.94 3.88 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-N 115.936 -0.575 . . . . 20.0 111.196 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -105.11 73.91 1.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 115.239 -0.891 . . . . 20.0 110.968 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 p -132.75 -154.64 0.63 Allowed 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.938 -1.134 . . . . 20.0 107.938 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.2 p -165.61 -45.6 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.155 -1.054 . . . . 20.0 108.155 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -70.71 139.66 51.23 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.566 -1.197 . . . . 20.0 111.641 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.01 161.26 33.16 Favored Glycine 0 N--CA 1.485 1.926 0 C-N-CA 119.084 -1.532 . . . . 20.0 109.976 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 26.3 pttt -159.23 -173.05 4.0 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 106.926 -1.509 . . . . 20.0 106.926 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.9 t -143.38 151.36 40.32 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.334 -1.747 . . . . 20.0 113.374 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.0 mtp -113.55 153.01 29.49 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 103.833 -2.655 . . . . 20.0 103.833 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -43.07 -31.59 0.57 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 125.194 1.558 . . . . 20.0 112.103 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -75.14 -49.06 20.79 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 118.816 -1.153 . . . . 20.0 112.9 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -163.68 178.6 7.78 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 119.531 -0.868 . . . . 20.0 111.824 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 150.44 24.79 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 104.065 -2.569 . . . . 20.0 104.065 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -142.42 140.24 31.9 Favored 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 119.422 -0.911 . . . . 20.0 108.814 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.5 m -96.48 158.66 15.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 124.003 0.814 . . . . 20.0 111.018 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -141.61 152.5 44.05 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 114.004 -1.453 . . . . 20.0 110.547 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--N 1.3 -1.555 0 N-CA-C 106.366 -1.716 . . . . 20.0 106.366 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 115.183 1.549 . . . . 20.0 115.183 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -91.59 149.62 21.57 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 113.746 -1.57 . . . . 20.0 111.285 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.9 p -128.58 147.45 50.71 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.131 -1.803 . . . . 20.0 106.131 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -81.24 33.11 0.34 Allowed 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.834 -0.746 . . . . 20.0 111.432 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.33 119.32 48.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 t -75.9 162.58 27.99 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 118.039 -1.464 . . . . 20.0 107.63 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.2 p -158.08 178.5 10.14 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 118.763 -1.175 . . . . 20.0 112.507 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.2 p -139.83 -37.12 0.49 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 112.689 -2.05 . . . . 20.0 108.379 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.9 p -119.72 136.17 54.54 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.646 0.736 . . . . 20.0 109.023 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -58.22 -22.87 53.79 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.193 1.924 . . . . 20.0 116.193 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -61.63 -19.12 61.92 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.3 -0.96 . . . . 20.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -68.79 -55.0 12.63 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 114.768 -1.105 . . . . 20.0 111.094 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.49 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -54.32 -34.7 61.57 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.697 -1.138 . . . . 20.0 111.055 -179.487 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -51.43 -71.52 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.222 -0.991 . . . . 20.0 111.801 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -45.33 -48.58 13.22 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.752 0.787 . . . . 20.0 111.845 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -55.49 -58.48 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-N 114.909 -1.041 . . . . 20.0 113.373 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 75.6 m -60.46 -31.38 70.38 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.518 -0.873 . . . . 20.0 113.209 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.7 -44.92 80.4 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 118.034 -1.466 . . . . 20.0 109.555 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.46 -49.91 67.36 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 119.538 -0.865 . . . . 20.0 111.601 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 10.9 mp -68.71 -60.2 2.57 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.963 1.097 . . . . 20.0 113.963 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 20' ' ' LEU . 7.8 m-70 -106.75 -154.1 0.51 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.452 -1.249 . . . . 20.0 110.47 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -141.52 65.29 1.38 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 107.393 -1.336 . . . . 20.0 107.393 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.5 p -120.7 -156.92 0.7 Allowed 'General case' 0 N--CA 1.495 1.791 0 CA-C-N 114.081 -1.418 . . . . 20.0 109.162 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 t -163.14 -52.07 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 114.655 -1.157 . . . . 20.0 109.579 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' A' ' 25' ' ' ARG . 46.1 mtt85 -66.23 115.49 6.26 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-N 114.402 -1.272 . . . . 20.0 110.808 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.78 163.66 31.84 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 118.891 -1.624 . . . . 20.0 110.679 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -157.62 173.0 17.52 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 114.709 -0.746 . . . . 20.0 110.732 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.8 t -120.12 132.52 55.44 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 115.873 1.805 . . . . 20.0 115.873 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 148.62 34.75 Favored 'General case' 0 N--CA 1.489 1.505 1 N-CA-C 99.674 -4.195 . . . . 20.0 99.674 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 30' ' ' ASN . 12.2 m-80 -44.94 -31.81 1.4 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 124.293 0.996 . . . . 20.0 112.476 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -69.78 -51.18 36.1 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 118.902 -1.119 . . . . 20.0 111.443 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -165.69 175.55 8.74 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 119.452 -0.899 . . . . 20.0 111.767 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -92.43 142.5 27.35 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 104.769 -2.308 . . . . 20.0 104.769 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -151.34 157.72 42.85 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 118.73 -1.188 . . . . 20.0 109.674 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 91.0 m -128.41 165.24 21.03 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.228 -0.989 . . . . 20.0 110.032 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -124.2 172.26 9.19 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 114.264 -1.335 . . . . 20.0 109.136 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.302 -1.497 0 CA-C-O 116.784 -1.579 . . . . 20.0 109.888 -179.969 . . . . . . . . 0 0 . 1 stop_ save_