data_2rv2_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 2rv2 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo . . . . . 0 CA--C 1.537 0.671 0 N-CA-C 114.236 0.821 . . . . 0.0 114.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -112.29 90.73 3.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.035 0.934 . . . . 0.0 110.312 -173.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.05 121.93 40.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.508 2.323 . . . . 0.0 108.901 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.05 139.03 11.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.149 2.18 . . . . 0.0 113.134 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 p -77.34 -5.44 49.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 mt -121.52 -40.32 2.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.078 1.351 . . . . 0.0 112.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.12 -176.88 4.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.769 1.228 . . . . 0.0 113.874 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -83.84 8.24 15.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.031 1.332 . . . . 0.0 113.423 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -64.9 136.84 57.3 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.241 -0.912 . . . . 0.0 112.337 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.41 151.95 34.89 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -144.77 163.55 33.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.231 1.412 . . . . 0.0 112.245 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -87.7 -3.29 58.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.591 1.956 . . . . 0.0 114.083 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -134.84 134.94 41.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.313 0.961 . . . . 0.0 113.417 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -66.0 -31.32 72.16 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.201 1.0 . . . . 0.0 113.651 -176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.6 p -70.05 -30.16 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.76 0.824 . . . . 0.0 112.436 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -73.63 -42.45 61.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.999 0.92 . . . . 0.0 110.952 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.23 -45.8 93.04 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.702 -0.624 . . . . 0.0 111.295 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.45 -36.88 62.08 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.491 -0.755 . . . . 0.0 112.294 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.63 72.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.379 0.672 . . . . 0.0 111.983 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -67.12 -41.11 86.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.483 1.113 . . . . 0.0 112.735 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.9 mmm -66.27 -26.99 67.6 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.755 -1.215 . . . . 0.0 112.721 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 . . . . . 0 CA--C 1.543 0.705 0 O-C-N 121.497 -0.752 . . . . 0.0 112.523 171.705 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 CA--C 1.537 0.673 0 N-CA-C 113.953 0.713 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -108.75 90.69 3.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.113 0.965 . . . . 0.0 110.328 -173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -97.9 121.81 40.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.7 2.4 . . . . 0.0 108.961 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 t -49.2 139.21 11.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.174 2.189 . . . . 0.0 113.195 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 p -76.99 -6.06 51.14 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.1 -40.57 2.59 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 p -128.07 -177.21 4.05 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.657 1.183 . . . . 0.0 113.788 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.79 8.25 15.3 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.953 1.301 . . . . 0.0 113.471 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.03 137.49 57.74 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.159 -0.963 . . . . 0.0 112.58 172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 154.24 37.76 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -146.47 159.81 42.92 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.996 1.318 . . . . 0.0 112.305 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -78.74 -10.36 59.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.861 1.665 . . . . 0.0 113.878 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.9 m -126.75 122.56 35.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.336 1.055 . . . . 0.0 112.813 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.77 -31.45 72.41 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -65.89 -31.35 72.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.274 1.43 . . . . 0.0 112.913 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -77.12 -40.9 44.07 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.154 0.982 . . . . 0.0 111.096 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.89 -46.49 89.16 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.451 -0.781 . . . . 0.0 111.071 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -37.38 56.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.988 0.915 . . . . 0.0 112.361 175.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.8 68.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.399 0.679 . . . . 0.0 112.138 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -64.69 -40.26 95.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.273 1.029 . . . . 0.0 112.713 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.16 -27.38 69.03 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.856 -1.153 . . . . 0.0 112.572 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 171.665 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo . . . . . 0 CA--C 1.538 0.681 0 N-CA-C 113.898 0.692 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.66 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.906 0.882 . . . . 0.0 111.106 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -86.64 126.67 34.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.378 2.271 . . . . 0.0 109.611 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.0 t -50.48 142.01 11.28 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.537 1.935 . . . . 0.0 112.326 170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -76.35 -8.38 57.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.076 0.95 . . . . 0.0 113.184 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.74 -39.93 2.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.97 1.308 . . . . 0.0 113.218 -168.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -127.32 -177.56 4.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.719 1.207 . . . . 0.0 113.831 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.38 2.4 28.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -61.48 134.58 57.04 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.3 -0.875 . . . . 0.0 112.513 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.8 153.67 39.49 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -146.69 162.55 38.26 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.808 1.243 . . . . 0.0 112.235 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -79.95 -13.02 59.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.16 1.784 . . . . 0.0 114.151 174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -124.48 123.72 40.74 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.033 0.933 . . . . 0.0 112.524 -175.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.83 -36.68 77.32 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.179 0.992 . . . . 0.0 112.185 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 p -64.4 -27.79 69.25 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.491 1.517 . . . . 0.0 113.736 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.7 -41.66 23.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.992 0.917 . . . . 0.0 111.11 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.36 -46.53 88.38 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.459 -0.776 . . . . 0.0 111.425 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -48.7 -43.13 36.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.504 1.122 . . . . 0.0 112.105 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.97 75.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.14 0.976 . . . . 0.0 112.378 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -67.82 -42.48 81.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.411 1.085 . . . . 0.0 112.657 170.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 93.7 mmm -63.54 -28.33 69.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.712 -1.243 . . . . 0.0 112.902 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 . . . . . 0 CA--C 1.546 0.815 0 O-C-N 121.455 -0.778 . . . . 0.0 112.479 171.772 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 115.029 1.127 . . . . 0.0 115.029 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.68 90.68 3.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.744 0.783 . . . . 0.0 110.5 -173.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -91.76 121.09 33.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.359 2.263 . . . . 0.0 109.625 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.59 142.96 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.814 2.046 . . . . 0.0 113.214 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m -77.88 -9.32 59.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.395 1.078 . . . . 0.0 113.313 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.62 -40.31 2.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.836 1.255 . . . . 0.0 113.117 -169.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.2 p -126.21 -177.96 4.15 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.713 1.205 . . . . 0.0 113.35 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.94 9.83 13.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.678 1.191 . . . . 0.0 113.88 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -63.9 136.34 57.29 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.399 0.679 . . . . 0.0 112.341 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.57 142.49 24.78 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -138.67 163.5 31.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.107 1.363 . . . . 0.0 112.38 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -90.29 0.84 57.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.787 2.035 . . . . 0.0 115.003 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -135.65 135.66 40.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.323 1.049 . . . . 0.0 112.307 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.88 -29.43 70.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.57 0.748 . . . . 0.0 112.471 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -71.17 -31.62 67.89 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.544 1.138 . . . . 0.0 112.682 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.14 -47.69 64.36 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.084 0.554 . . . . 0.0 110.368 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.8 -45.89 92.66 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.899 -0.5 . . . . 0.0 111.366 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -37.78 51.36 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.012 0.925 . . . . 0.0 112.403 175.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.65 65.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 111.995 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.12 -40.5 97.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.45 1.1 . . . . 0.0 112.514 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -63.95 -31.01 72.05 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.719 -1.238 . . . . 0.0 112.2 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 172.392 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 CA--C 1.54 0.82 0 N-CA-C 114.372 0.874 . . . . 0.0 114.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -117.11 90.5 3.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.967 0.907 . . . . 0.0 110.392 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 14.3 tptm -94.58 125.97 39.57 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.498 2.319 . . . . 0.0 109.595 172.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -50.99 143.14 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.728 2.011 . . . . 0.0 112.524 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -79.09 -7.87 58.5 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.497 1.119 . . . . 0.0 113.326 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -122.17 -39.79 2.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.048 1.339 . . . . 0.0 113.076 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.5 -179.56 5.23 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 113.819 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -81.7 10.4 6.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.333 1.453 . . . . 0.0 113.662 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.95 133.57 51.15 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.198 -0.939 . . . . 0.0 112.05 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.94 152.92 38.33 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.423 0.63 . . . . 0.0 112.493 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -146.96 166.23 27.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.971 1.308 . . . . 0.0 112.012 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -90.71 -8.51 49.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.198 1.799 . . . . 0.0 115.037 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -130.85 136.05 48.29 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.765 1.226 . . . . 0.0 112.117 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.21 -32.69 73.38 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.469 0.707 . . . . 0.0 112.263 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -66.71 -28.04 68.12 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.663 1.185 . . . . 0.0 113.218 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -73.12 -47.23 45.95 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.527 0.603 . . . . 0.0 110.48 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.36 -45.99 90.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.758 -0.589 . . . . 0.0 111.418 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -46.2 -44.21 15.93 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.835 1.254 . . . . 0.0 112.28 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.97 74.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.195 0.998 . . . . 0.0 112.402 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -65.19 -40.76 94.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.28 1.032 . . . . 0.0 112.802 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.0 mmm -64.9 -26.69 68.42 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.613 -1.304 . . . . 0.0 112.783 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 . . . . . 0 CA--C 1.547 0.851 0 O-C-N 121.481 -0.762 . . . . 0.0 112.939 171.193 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 CA--C 1.539 0.734 0 N-CA-C 114.266 0.833 . . . . 0.0 114.266 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -111.7 90.48 3.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.782 0.833 . . . . 0.0 110.847 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -90.73 125.83 35.81 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.651 2.38 . . . . 0.0 110.017 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.57 143.58 15.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.783 2.033 . . . . 0.0 112.489 171.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 m -80.24 -8.48 59.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.608 1.163 . . . . 0.0 113.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.77 -39.91 2.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.994 1.318 . . . . 0.0 112.998 -169.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.61 -179.92 5.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.886 1.274 . . . . 0.0 113.004 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.51 9.42 11.34 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.475 1.11 . . . . 0.0 113.509 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.04 134.9 56.85 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.197 -0.94 . . . . 0.0 112.453 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.3 152.47 37.17 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -146.15 164.16 33.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.019 1.327 . . . . 0.0 112.301 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -90.31 -6.35 55.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.489 1.916 . . . . 0.0 114.964 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 m -130.38 130.56 44.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.331 1.053 . . . . 0.0 111.711 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.06 -32.67 72.31 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.773 0.829 . . . . 0.0 112.22 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -62.03 -35.15 77.71 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.745 1.618 . . . . 0.0 113.615 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.38 -46.28 67.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.484 0.714 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.58 -46.12 89.77 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.912 -0.493 . . . . 0.0 111.055 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -38.65 53.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.138 0.975 . . . . 0.0 112.117 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.65 -38.51 67.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.591 0.756 . . . . 0.0 112.144 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.18 -41.45 97.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.441 1.097 . . . . 0.0 112.587 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.18 -27.28 68.59 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.702 -1.249 . . . . 0.0 112.757 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 171.157 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo . . . . . 0 CA--C 1.538 0.678 0 N-CA-C 114.025 0.741 . . . . 0.0 114.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.9 90.72 3.41 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.126 0.97 . . . . 0.0 110.192 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.81 121.69 40.03 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.184 2.194 . . . . 0.0 108.726 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.25 132.44 19.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.843 2.057 . . . . 0.0 112.227 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -75.24 -1.89 25.49 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.227 -0.92 . . . . 0.0 113.451 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -121.09 -38.42 2.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.569 1.548 . . . . 0.0 112.498 -169.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -134.91 -174.21 3.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.116 1.366 . . . . 0.0 113.929 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -85.78 8.62 19.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.951 1.3 . . . . 0.0 113.712 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.12 139.59 58.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.244 -0.91 . . . . 0.0 112.572 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.27 154.59 38.17 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 t -145.78 160.84 41.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 112.315 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.34 -11.14 59.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.153 1.781 . . . . 0.0 113.941 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -127.29 124.37 38.6 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.146 0.978 . . . . 0.0 112.59 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.53 -35.29 72.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.221 1.008 . . . . 0.0 112.482 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 p -57.48 -33.36 67.91 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.834 1.654 . . . . 0.0 113.715 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -83.58 -38.82 21.14 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.238 1.015 . . . . 0.0 110.72 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.72 -45.48 89.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.927 0.785 . . . . 0.0 111.263 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -49.36 -43.6 44.13 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.235 1.014 . . . . 0.0 111.71 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.18 75.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.233 1.013 . . . . 0.0 112.264 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -68.15 -39.44 82.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.567 1.147 . . . . 0.0 112.559 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -32.0 73.43 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.751 1.22 . . . . 0.0 111.671 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 . . . . . 0 CA--C 1.544 0.734 0 O-C-N 121.488 -0.758 . . . . 0.0 112.474 172.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 CA--C 1.538 0.685 0 N-CA-C 113.924 0.701 . . . . 0.0 113.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -118.19 90.4 3.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.167 0.984 . . . . 0.0 110.722 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 18.9 tptm -90.77 125.56 35.74 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.588 2.355 . . . . 0.0 109.359 171.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -51.14 137.66 21.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.42 1.888 . . . . 0.0 111.291 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 p -80.99 -2.93 49.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.062 0.945 . . . . 0.0 113.384 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -118.28 -38.02 3.25 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.262 -169.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -136.04 -176.1 4.2 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.416 1.486 . . . . 0.0 113.466 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 18.8 tt0 -84.7 8.52 16.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.991 1.316 . . . . 0.0 113.713 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.63 138.25 58.43 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.23 -0.919 . . . . 0.0 112.506 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.36 39.25 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -144.19 162.4 36.42 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.544 1.538 . . . . 0.0 111.68 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -85.0 -7.53 59.1 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.17 1.788 . . . . 0.0 113.772 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -129.03 121.52 28.08 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.371 1.068 . . . . 0.0 112.575 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.97 -35.23 74.53 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 m -66.69 -23.53 66.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.439 1.096 . . . . 0.0 113.093 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.2 -37.59 21.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.104 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.94 -45.7 91.21 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.395 -0.816 . . . . 0.0 111.332 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -48.47 -43.13 34.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.748 1.219 . . . . 0.0 111.882 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.03 77.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.984 0.914 . . . . 0.0 112.037 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -65.21 -38.0 89.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.369 1.068 . . . . 0.0 112.624 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.33 -26.02 67.1 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.736 1.215 . . . . 0.0 112.229 178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 123.579 0.751 . . . . 0.0 112.815 171.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 N-CA-C 114.201 0.808 . . . . 0.0 114.201 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -111.25 90.65 3.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.155 0.979 . . . . 0.0 110.218 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.2 121.59 38.15 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.368 2.267 . . . . 0.0 108.629 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.5 133.24 20.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.723 2.009 . . . . 0.0 112.349 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -75.32 -2.09 26.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.02 -38.42 2.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.483 1.513 . . . . 0.0 112.486 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.13 -174.35 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.086 1.355 . . . . 0.0 113.988 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.88 9.23 17.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.099 1.36 . . . . 0.0 113.639 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.24 139.38 58.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.253 -0.904 . . . . 0.0 112.291 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.85 35.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.113 0.565 . . . . 0.0 112.198 168.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 t -145.44 161.29 40.06 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.129 1.372 . . . . 0.0 112.29 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.86 -9.69 58.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.046 1.738 . . . . 0.0 114.31 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -131.73 130.29 41.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.344 1.057 . . . . 0.0 112.396 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.54 -28.63 70.0 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -63.27 -35.42 80.3 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.512 1.525 . . . . 0.0 113.093 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -70.44 -45.82 65.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.639 0.776 . . . . 0.0 110.681 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.97 -43.52 95.48 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.84 -0.537 . . . . 0.0 111.107 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -38.16 62.03 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 111.989 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -38.81 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.546 0.738 . . . . 0.0 111.936 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.15 -38.09 87.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.347 1.059 . . . . 0.0 112.472 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -27.72 68.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.779 1.231 . . . . 0.0 112.053 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 . . . . . 0 CA--C 1.546 0.816 0 O-C-N 121.595 -0.69 . . . . 0.0 112.786 172.016 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo . . . . . 0 CA--C 1.539 0.757 0 N-CA-C 114.561 0.946 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -108.43 91.13 3.52 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.958 0.885 . . . . 0.0 110.652 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -90.93 120.65 32.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.364 2.266 . . . . 0.0 109.339 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.2 136.54 19.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.696 1.998 . . . . 0.0 112.224 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.4 p -79.04 -4.18 48.86 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -117.93 -38.49 3.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.491 1.516 . . . . 0.0 112.226 -170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.19 -174.55 3.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.218 1.407 . . . . 0.0 113.728 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.67 7.58 22.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.931 1.292 . . . . 0.0 113.871 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.09 138.45 58.56 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.742 0.817 . . . . 0.0 112.456 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 143.75 24.73 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -139.06 160.57 39.46 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.464 . . . . 0.0 112.597 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -79.64 -13.75 59.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.293 1.837 . . . . 0.0 114.131 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.0 t -118.38 128.13 54.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.303 1.041 . . . . 0.0 112.507 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -64.63 -36.58 84.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.965 0.906 . . . . 0.0 111.783 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.4 m -68.65 -30.95 69.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.552 1.141 . . . . 0.0 112.574 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.76 -42.41 64.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.189 0.596 . . . . 0.0 111.801 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.17 -44.49 95.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.988 0.813 . . . . 0.0 111.199 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.87 -37.21 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.822 0.849 . . . . 0.0 111.898 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.82 71.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.108 0.563 . . . . 0.0 111.811 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -64.89 -36.46 84.43 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.443 1.097 . . . . 0.0 112.585 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -31.93 73.29 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.743 -1.223 . . . . 0.0 111.209 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 171.391 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 CA--C 1.538 0.725 0 N-CA-C 114.431 0.896 . . . . 0.0 114.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -112.87 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.006 0.922 . . . . 0.0 110.168 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -95.15 121.29 36.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.291 2.236 . . . . 0.0 108.86 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.09 132.98 19.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.948 2.099 . . . . 0.0 112.427 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -75.42 -2.53 29.09 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.39 -38.62 2.87 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.626 1.571 . . . . 0.0 112.535 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -134.59 -174.17 3.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 0.0 113.878 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -85.39 7.24 23.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.114 1.366 . . . . 0.0 113.565 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -64.45 139.13 58.73 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.211 -0.93 . . . . 0.0 112.356 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.86 33.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -145.55 163.34 35.07 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.838 1.255 . . . . 0.0 112.504 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -84.17 -7.83 59.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.396 1.878 . . . . 0.0 114.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 131.83 45.84 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.77 -38.74 86.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.677 1.191 . . . . 0.0 112.173 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.7 p -69.24 -24.65 64.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.858 0.863 . . . . 0.0 113.231 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.88 -41.51 29.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.256 0.623 . . . . 0.0 111.487 173.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.71 -45.3 94.77 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.223 -0.923 . . . . 0.0 111.625 170.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -50.05 -42.6 50.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.307 1.043 . . . . 0.0 111.86 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.67 -38.58 80.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.946 0.898 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -66.72 -38.02 85.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.362 1.065 . . . . 0.0 112.663 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -31.85 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.607 -1.308 . . . . 0.0 111.417 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 CA--C 1.546 0.81 0 O-C-N 121.38 -0.825 . . . . 0.0 113.152 172.342 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.847 0.672 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -111.87 90.95 3.48 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.385 1.074 . . . . 0.0 110.364 -172.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -96.91 122.19 39.62 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.341 2.256 . . . . 0.0 109.005 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 t -50.23 140.61 12.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.411 1.884 . . . . 0.0 112.715 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 m -76.72 -8.64 57.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.992 . . . . 0.0 113.268 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.89 -40.38 2.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.964 1.305 . . . . 0.0 113.195 -168.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 p -126.39 -177.65 4.06 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.654 1.181 . . . . 0.0 113.155 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -87.36 12.59 11.67 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.23 138.55 58.31 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.54 -0.725 . . . . 0.0 112.33 169.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 154.24 37.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -147.55 161.46 41.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 112.405 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -84.73 -9.36 58.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.325 1.85 . . . . 0.0 114.393 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 131.02 42.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.557 1.143 . . . . 0.0 112.25 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -62.41 -28.96 70.15 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -63.93 -34.78 78.74 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.566 1.546 . . . . 0.0 113.17 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -70.04 -45.7 66.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.482 0.713 . . . . 0.0 110.568 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -63.57 -45.8 88.79 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.775 -0.578 . . . . 0.0 111.067 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.94 -35.47 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.781 1.233 . . . . 0.0 112.34 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.51 61.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.554 0.742 . . . . 0.0 112.121 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -65.03 -41.92 94.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.482 1.113 . . . . 0.0 112.475 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.6 mmm -64.59 -26.96 68.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.803 -1.186 . . . . 0.0 112.676 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.546 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 113.245 172.247 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 CA--C 1.541 0.842 0 N-CA-C 114.495 0.921 . . . . 0.0 114.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -111.06 90.69 3.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.147 0.979 . . . . 0.0 110.707 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -93.84 122.6 36.49 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.294 2.238 . . . . 0.0 108.702 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.37 134.01 19.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.074 . . . . 0.0 112.683 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 m -72.51 -4.58 31.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.954 0.901 . . . . 0.0 113.341 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -122.43 -38.47 2.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.367 1.467 . . . . 0.0 112.834 -168.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 p -134.51 -174.21 3.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.32 . . . . 0.0 114.117 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -86.18 9.58 17.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.023 1.329 . . . . 0.0 113.731 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.92 140.39 58.86 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.25 -0.906 . . . . 0.0 112.282 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.25 152.86 35.21 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.323 0.582 . . . . 0.0 112.294 168.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -142.56 160.1 40.94 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.492 1.517 . . . . 0.0 112.175 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.21 -11.09 59.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.01 1.724 . . . . 0.0 113.876 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -129.65 124.1 32.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.103 0.961 . . . . 0.0 112.673 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.02 -28.8 69.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 p -65.79 -33.44 75.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.214 1.406 . . . . 0.0 113.098 173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -74.23 -39.32 63.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.428 0.691 . . . . 0.0 111.425 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.05 -46.69 80.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.38 -43.75 34.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.323 1.049 . . . . 0.0 111.888 173.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.96 74.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.981 0.912 . . . . 0.0 112.502 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -66.94 -38.76 86.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.544 1.138 . . . . 0.0 112.335 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -33.84 75.76 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.903 -1.123 . . . . 0.0 111.292 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 173.53 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.537 0.667 0 N-CA-C 114.708 1.003 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -114.52 90.72 3.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 122.024 0.916 . . . . 0.0 110.439 -175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.35 122.46 36.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.331 2.252 . . . . 0.0 108.938 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -49.72 134.68 20.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.065 2.146 . . . . 0.0 113.051 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 m -73.82 -4.69 36.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.183 0.993 . . . . 0.0 113.331 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -122.83 -38.28 2.64 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.256 1.422 . . . . 0.0 112.966 -168.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 p -133.71 -174.65 3.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.048 1.339 . . . . 0.0 113.956 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.6 8.01 21.04 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.12 1.368 . . . . 0.0 113.579 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 139.24 58.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.216 -0.927 . . . . 0.0 112.436 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.83 150.87 32.62 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -146.01 165.83 27.86 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.905 1.282 . . . . 0.0 112.244 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -88.4 -9.43 52.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.211 1.804 . . . . 0.0 115.483 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 t -132.12 138.21 48.0 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.641 1.177 . . . . 0.0 112.512 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.17 -31.53 71.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.754 0.821 . . . . 0.0 112.538 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -68.1 -31.06 70.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 112.694 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.83 -48.18 47.98 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.481 0.712 . . . . 0.0 110.419 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.76 -42.12 99.54 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.683 -0.636 . . . . 0.0 111.594 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -38.61 62.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.086 0.955 . . . . 0.0 111.946 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.33 67.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.29 0.636 . . . . 0.0 111.811 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -65.43 -37.04 85.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.333 1.053 . . . . 0.0 112.448 174.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.03 -31.13 71.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.685 1.194 . . . . 0.0 111.445 174.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 CA--C 1.546 0.811 0 O-C-N 121.272 -0.892 . . . . 0.0 112.944 171.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.151 0.789 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -110.39 90.4 3.31 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.84 0.856 . . . . 0.0 111.127 -172.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -89.67 126.15 35.53 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.769 2.428 . . . . 0.0 110.288 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.97 146.85 10.23 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.219 2.208 . . . . 0.0 113.013 171.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -83.8 -8.33 59.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.273 . . . . 0.0 113.353 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.14 -39.22 2.71 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.067 1.347 . . . . 0.0 112.834 -169.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -130.45 -179.37 5.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.269 1.427 . . . . 0.0 113.076 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.74 9.69 11.21 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.542 1.137 . . . . 0.0 113.545 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.89 135.78 57.5 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.14 -0.975 . . . . 0.0 112.319 172.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.51 150.34 33.23 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -143.73 161.29 38.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.861 1.264 . . . . 0.0 112.384 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -87.15 -3.07 59.04 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.51 1.924 . . . . 0.0 114.495 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -131.17 129.79 42.19 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.932 0.893 . . . . 0.0 112.941 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.51 -35.63 80.0 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 112.36 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -69.09 -25.28 64.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.905 0.882 . . . . 0.0 113.214 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -77.7 -41.87 36.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.374 0.67 . . . . 0.0 111.199 173.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.78 -48.15 82.82 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.468 -0.77 . . . . 0.0 111.491 170.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -48.46 -41.91 30.99 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.531 1.132 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.15 74.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.841 0.856 . . . . 0.0 111.573 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -59.09 -37.43 77.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.322 1.049 . . . . 0.0 113.205 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 90.5 mmm -67.69 -23.94 65.35 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.757 -1.215 . . . . 0.0 112.739 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 123.645 0.778 . . . . 0.0 112.099 169.547 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 CA--C 1.541 0.852 0 N-CA-C 114.12 0.777 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.88 90.6 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.099 0.952 . . . . 0.0 110.914 -174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -88.84 124.91 34.64 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.517 2.327 . . . . 0.0 109.85 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -51.72 134.94 30.01 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.24 1.816 . . . . 0.0 110.906 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 p -79.87 -2.87 45.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.045 0.938 . . . . 0.0 113.224 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.0 mt -118.37 -38.49 3.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.56 1.544 . . . . 0.0 112.244 -169.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.16 -175.96 4.03 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.252 1.421 . . . . 0.0 113.194 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.27 5.91 24.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.589 1.155 . . . . 0.0 113.651 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.75 136.67 57.98 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.156 -0.965 . . . . 0.0 112.619 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.71 147.85 27.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -142.01 163.68 32.22 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.458 1.503 . . . . 0.0 112.561 -172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -83.56 -10.51 58.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.424 1.889 . . . . 0.0 114.21 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -120.09 127.15 52.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.401 1.08 . . . . 0.0 112.848 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -62.58 -33.88 75.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.445 0.698 . . . . 0.0 112.635 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -75.05 -23.83 58.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.55 -41.54 46.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.886 0.766 . . . . 0.0 111.373 171.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.24 -46.57 89.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.132 -0.98 . . . . 0.0 112.017 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -49.02 -42.62 38.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.761 1.224 . . . . 0.0 112.113 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.47 -38.06 77.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.997 0.919 . . . . 0.0 112.165 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -67.0 -38.69 86.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.596 1.159 . . . . 0.0 112.529 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -31.59 72.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.727 -1.233 . . . . 0.0 111.637 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.547 0.846 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 172.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.535 0.558 0 N-CA-C 114.966 1.102 . . . . 0.0 114.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -108.13 90.22 3.23 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.903 0.858 . . . . 0.0 110.477 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -86.62 123.09 31.42 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.386 2.274 . . . . 0.0 109.925 173.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.06 134.78 38.18 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.643 169.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 p -79.54 -3.96 49.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.099 0.96 . . . . 0.0 113.16 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 mt -116.52 -38.44 3.51 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.579 1.552 . . . . 0.0 111.978 -169.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -134.35 -174.31 3.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.127 1.371 . . . . 0.0 113.419 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.63 7.99 24.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.601 1.16 . . . . 0.0 114.093 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -63.53 137.04 57.97 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.525 0.73 . . . . 0.0 112.441 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.26 34.18 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -143.55 164.39 30.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.81 1.244 . . . . 0.0 112.417 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -85.38 -9.92 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.453 1.901 . . . . 0.0 114.319 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -129.04 125.42 37.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.313 1.045 . . . . 0.0 112.164 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.57 -31.93 72.0 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -67.19 -27.19 67.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.674 1.59 . . . . 0.0 113.358 173.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -81.4 -40.32 23.61 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.922 0.889 . . . . 0.0 111.098 174.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.51 -45.86 92.25 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.293 -0.879 . . . . 0.0 111.528 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -48.56 -44.22 36.4 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.198 0.999 . . . . 0.0 111.847 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.14 70.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.26 1.024 . . . . 0.0 112.971 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -72.32 -39.72 68.0 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.434 1.094 . . . . 0.0 112.36 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -31.68 72.85 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.49 1.116 . . . . 0.0 111.638 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 124.047 0.939 . . . . 0.0 113.142 172.303 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.052 0.751 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.96 90.46 3.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.018 0.927 . . . . 0.0 110.477 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.76 126.77 34.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.574 1.949 . . . . 0.0 109.414 170.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.24 138.11 26.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.008 1.723 . . . . 0.0 111.995 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -76.9 -4.82 45.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.099 0.96 . . . . 0.0 113.028 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 mt -121.76 -37.82 2.82 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.381 1.472 . . . . 0.0 112.448 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -136.51 -173.34 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.06 -7.04 55.01 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.148 1.779 . . . . 0.0 113.728 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.79 135.7 57.77 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.389 0.676 . . . . 0.0 112.574 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.83 150.95 35.14 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 170.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -144.18 162.3 36.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.978 1.311 . . . . 0.0 112.097 -174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -88.73 -7.24 56.63 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.08 1.752 . . . . 0.0 114.326 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -131.88 130.47 41.69 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.619 1.168 . . . . 0.0 111.902 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.83 -28.92 69.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -63.61 -35.12 79.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.584 1.553 . . . . 0.0 113.266 174.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.34 -46.55 66.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.559 0.744 . . . . 0.0 110.643 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.32 -43.94 93.12 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.809 -0.557 . . . . 0.0 111.441 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -52.78 -37.68 59.99 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.734 0.814 . . . . 0.0 112.079 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -42.09 63.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.203 0.601 . . . . 0.0 111.516 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.33 -35.69 81.21 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.155 0.982 . . . . 0.0 112.412 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -22.56 65.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.831 1.252 . . . . 0.0 112.183 174.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 123.944 0.898 . . . . 0.0 112.261 169.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 113.801 0.654 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -111.21 90.47 3.34 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.198 0.999 . . . . 0.0 110.165 -173.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.42 122.12 36.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.436 2.295 . . . . 0.0 108.645 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -49.23 131.86 19.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.878 2.071 . . . . 0.0 112.38 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 m -71.6 -3.87 23.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.849 0.859 . . . . 0.0 113.255 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -122.62 -38.82 2.6 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.495 1.518 . . . . 0.0 112.838 -168.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.48 3.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.846 1.258 . . . . 0.0 114.061 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -84.69 6.74 23.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.169 1.388 . . . . 0.0 113.624 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.78 139.32 58.75 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.239 -0.913 . . . . 0.0 112.472 172.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 153.69 36.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 160.14 42.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.123 1.369 . . . . 0.0 112.232 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.91 -9.29 59.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.002 1.721 . . . . 0.0 114.017 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.8 m -127.91 124.82 38.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.318 1.047 . . . . 0.0 112.785 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.66 -40.88 89.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.251 1.021 . . . . 0.0 112.455 -176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -64.95 -23.28 67.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.43 1.092 . . . . 0.0 113.546 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -81.99 -40.29 22.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.523 0.729 . . . . 0.0 111.339 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.23 -45.82 92.95 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.288 -0.882 . . . . 0.0 111.518 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -48.17 -44.04 32.12 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.809 1.244 . . . . 0.0 111.96 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -34.45 72.01 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 112.71 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.35 -39.16 74.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.459 1.104 . . . . 0.0 112.42 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -35.39 78.08 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.961 -1.087 . . . . 0.0 111.217 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.881 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 N-CA-C 114.099 0.769 . . . . 0.0 114.099 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -108.92 90.76 3.39 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.06 0.944 . . . . 0.0 110.684 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -86.44 124.28 32.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.277 2.231 . . . . 0.0 109.966 172.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -52.9 135.62 35.95 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.754 1.622 . . . . 0.0 111.507 170.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -78.01 -5.19 50.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.55 1.14 . . . . 0.0 113.172 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.62 -38.2 3.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.404 1.482 . . . . 0.0 112.332 -169.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.47 3.54 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.189 1.395 . . . . 0.0 113.523 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 8.2 24.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.748 1.219 . . . . 0.0 114.019 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.54 138.02 58.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.524 0.73 . . . . 0.0 112.464 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.49 153.56 38.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 169.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -146.51 160.6 41.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 112.523 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.94 -10.49 57.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.286 1.834 . . . . 0.0 114.538 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -132.48 130.54 40.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.431 1.092 . . . . 0.0 112.071 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.15 -31.04 70.77 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -66.44 -26.91 67.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.507 1.123 . . . . 0.0 113.439 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -73.27 -46.24 51.04 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.576 0.626 . . . . 0.0 110.299 173.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.22 -44.66 91.2 Favored 'General case' 0 C--N 1.343 0.283 0 O-C-N 121.712 -0.618 . . . . 0.0 111.41 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -47.58 -44.0 25.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.422 1.089 . . . . 0.0 112.101 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.5 73.35 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.92 0.888 . . . . 0.0 112.2 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.47 -36.9 85.68 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.427 1.091 . . . . 0.0 112.582 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -30.0 70.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.7 -1.25 . . . . 0.0 111.606 174.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 121.311 -0.868 . . . . 0.0 112.561 171.618 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -146.14 161.57 39.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.467 1.507 . . . . 0.0 112.447 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -68.13 142.71 55.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.429 1.092 . . . . 0.0 112.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.04 173.36 54.92 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.456 1.027 . . . . 0.0 114.125 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m -81.1 -11.79 59.41 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 m 54.55 23.9 4.97 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.546 1.938 . . . . 0.0 115.87 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.42 -33.64 0.68 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.18 1.848 . . . . 0.0 115.807 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.43 143.85 47.02 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.952 1.701 . . . . 0.0 112.43 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -70.41 -39.66 5.05 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 124.959 3.773 . . . . 0.0 114.236 -173.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -112.29 90.73 3.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.035 0.934 . . . . 0.0 110.312 -173.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.05 121.93 40.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.508 2.323 . . . . 0.0 108.901 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.05 139.03 11.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.149 2.18 . . . . 0.0 113.134 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 p -77.34 -5.44 49.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 mt -121.52 -40.32 2.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.078 1.351 . . . . 0.0 112.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.12 -176.88 4.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.769 1.228 . . . . 0.0 113.874 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -83.84 8.24 15.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.031 1.332 . . . . 0.0 113.423 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -64.9 136.84 57.3 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.241 -0.912 . . . . 0.0 112.337 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.41 151.95 34.89 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -144.77 163.55 33.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.231 1.412 . . . . 0.0 112.245 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -87.7 -3.29 58.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.591 1.956 . . . . 0.0 114.083 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -134.84 134.94 41.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.313 0.961 . . . . 0.0 113.417 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -66.0 -31.32 72.16 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.201 1.0 . . . . 0.0 113.651 -176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.6 p -70.05 -30.16 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.76 0.824 . . . . 0.0 112.436 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -73.63 -42.45 61.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.999 0.92 . . . . 0.0 110.952 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.23 -45.8 93.04 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.702 -0.624 . . . . 0.0 111.295 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.45 -36.88 62.08 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.491 -0.755 . . . . 0.0 112.294 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.63 72.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.379 0.672 . . . . 0.0 111.983 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -67.12 -41.11 86.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.483 1.113 . . . . 0.0 112.735 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.9 mmm -66.27 -26.99 67.6 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.755 -1.215 . . . . 0.0 112.721 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.15 -29.4 69.1 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.497 -0.752 . . . . 0.0 112.523 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -67.07 -44.63 79.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.312 0.96 . . . . 0.0 111.4 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -61.98 -35.63 79.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 172.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -69.79 -42.71 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.141 0.977 . . . . 0.0 112.998 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 t -82.85 -24.24 33.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.0 121.42 20.07 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.027 -1.046 . . . . 0.0 111.885 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.625 1.97 . . . . 0.0 112.561 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -63.88 -19.51 65.13 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 p -64.14 -28.69 69.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.217 1.007 . . . . 0.0 113.006 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.54 31.54 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.368 0.985 . . . . 0.0 112.77 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -73.79 -26.86 60.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -75.35 -18.08 60.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.18 0.992 . . . . 0.0 113.194 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.73 -131.46 3.97 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.128 1.823 . . . . 0.0 113.367 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -104.24 138.59 19.56 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.568 1.147 . . . . 0.0 111.729 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.35 -39.11 5.7 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.981 3.788 . . . . 0.0 113.953 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -108.75 90.69 3.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.113 0.965 . . . . 0.0 110.328 -173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -97.9 121.81 40.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.7 2.4 . . . . 0.0 108.961 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 t -49.2 139.21 11.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.174 2.189 . . . . 0.0 113.195 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 p -76.99 -6.06 51.14 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.1 -40.57 2.59 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 p -128.07 -177.21 4.05 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.657 1.183 . . . . 0.0 113.788 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.79 8.25 15.3 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.953 1.301 . . . . 0.0 113.471 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.03 137.49 57.74 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.159 -0.963 . . . . 0.0 112.58 172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 154.24 37.76 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -146.47 159.81 42.92 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.996 1.318 . . . . 0.0 112.305 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -78.74 -10.36 59.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.861 1.665 . . . . 0.0 113.878 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.9 m -126.75 122.56 35.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.336 1.055 . . . . 0.0 112.813 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.77 -31.45 72.41 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -65.89 -31.35 72.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.274 1.43 . . . . 0.0 112.913 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -77.12 -40.9 44.07 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.154 0.982 . . . . 0.0 111.096 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.89 -46.49 89.16 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.451 -0.781 . . . . 0.0 111.071 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -37.38 56.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.988 0.915 . . . . 0.0 112.361 175.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.8 68.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.399 0.679 . . . . 0.0 112.138 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -64.69 -40.26 95.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.273 1.029 . . . . 0.0 112.713 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.16 -27.38 69.03 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.856 -1.153 . . . . 0.0 112.572 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -72.95 -11.88 60.74 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -80.6 -27.41 37.36 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.897 -1.127 . . . . 0.0 112.376 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -75.33 -9.8 58.89 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.229 1.012 . . . . 0.0 113.265 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -76.4 53.72 0.86 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.905 2.082 . . . . 0.0 113.39 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -151.2 177.02 10.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.121 1.768 . . . . 0.0 111.48 -173.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.48 157.11 34.49 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.208 1.403 . . . . 0.0 113.124 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mptt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.112 1.765 . . . . 0.0 111.492 178.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p 55.44 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 130.352 3.461 . . . . 0.0 119.687 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m 54.26 28.3 9.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.872 1.669 . . . . 0.0 113.818 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.36 61.53 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 125.318 1.437 . . . . 0.0 116.363 -173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -144.36 148.96 35.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.142 1.377 . . . . 0.0 111.998 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -155.17 172.25 18.46 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.248 1.819 . . . . 0.0 111.077 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.33 -36.14 0.08 OUTLIER Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.528 0.971 . . . . 0.0 115.528 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -101.05 143.24 26.2 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 124.683 1.193 . . . . 0.0 111.489 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.98 -37.29 5.03 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.995 3.13 . . . . 0.0 113.898 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.66 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.906 0.882 . . . . 0.0 111.106 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -86.64 126.67 34.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.378 2.271 . . . . 0.0 109.611 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.0 t -50.48 142.01 11.28 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.537 1.935 . . . . 0.0 112.326 170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -76.35 -8.38 57.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.076 0.95 . . . . 0.0 113.184 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.74 -39.93 2.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.97 1.308 . . . . 0.0 113.218 -168.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -127.32 -177.56 4.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.719 1.207 . . . . 0.0 113.831 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.38 2.4 28.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -61.48 134.58 57.04 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.3 -0.875 . . . . 0.0 112.513 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.8 153.67 39.49 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -146.69 162.55 38.26 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.808 1.243 . . . . 0.0 112.235 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -79.95 -13.02 59.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.16 1.784 . . . . 0.0 114.151 174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -124.48 123.72 40.74 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.033 0.933 . . . . 0.0 112.524 -175.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.83 -36.68 77.32 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.179 0.992 . . . . 0.0 112.185 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 p -64.4 -27.79 69.25 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.491 1.517 . . . . 0.0 113.736 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.7 -41.66 23.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.992 0.917 . . . . 0.0 111.11 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.36 -46.53 88.38 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.459 -0.776 . . . . 0.0 111.425 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -48.7 -43.13 36.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.504 1.122 . . . . 0.0 112.105 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.97 75.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.14 0.976 . . . . 0.0 112.378 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -67.82 -42.48 81.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.411 1.085 . . . . 0.0 112.657 170.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 93.7 mmm -63.54 -28.33 69.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.712 -1.243 . . . . 0.0 112.902 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.07 -29.18 70.33 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.455 -0.778 . . . . 0.0 112.479 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -71.3 -29.76 65.43 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.377 1.071 . . . . 0.0 112.635 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -75.38 -31.05 60.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.238 0.615 . . . . 0.0 111.862 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -73.51 -36.08 65.68 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.48 1.112 . . . . 0.0 113.218 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 p -69.23 143.74 53.87 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.818 0.847 . . . . 0.0 112.974 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -78.89 159.27 27.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.199 1.0 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.217 1.807 . . . . 0.0 111.713 178.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -85.24 -12.69 51.93 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 p -75.81 158.92 31.57 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.367 1.467 . . . . 0.0 113.526 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.56 -173.02 45.44 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.037 1.304 . . . . 0.0 112.967 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -69.1 142.78 54.35 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.644 0.778 . . . . 0.0 112.205 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -77.94 -15.34 59.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 113.63 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.75 -118.72 15.41 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.109 0.861 . . . . 0.0 112.124 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 140.32 31.44 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.815 1.246 . . . . 0.0 110.881 171.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.35 -40.01 11.69 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 125.086 3.857 . . . . 0.0 115.029 -170.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.68 90.68 3.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.744 0.783 . . . . 0.0 110.5 -173.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -91.76 121.09 33.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.359 2.263 . . . . 0.0 109.625 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.59 142.96 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.814 2.046 . . . . 0.0 113.214 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m -77.88 -9.32 59.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.395 1.078 . . . . 0.0 113.313 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.62 -40.31 2.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.836 1.255 . . . . 0.0 113.117 -169.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.2 p -126.21 -177.96 4.15 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.713 1.205 . . . . 0.0 113.35 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.94 9.83 13.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.678 1.191 . . . . 0.0 113.88 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -63.9 136.34 57.29 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.399 0.679 . . . . 0.0 112.341 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.57 142.49 24.78 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -138.67 163.5 31.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.107 1.363 . . . . 0.0 112.38 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -90.29 0.84 57.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.787 2.035 . . . . 0.0 115.003 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -135.65 135.66 40.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.323 1.049 . . . . 0.0 112.307 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.88 -29.43 70.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.57 0.748 . . . . 0.0 112.471 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -71.17 -31.62 67.89 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.544 1.138 . . . . 0.0 112.682 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.14 -47.69 64.36 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.084 0.554 . . . . 0.0 110.368 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.8 -45.89 92.66 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.899 -0.5 . . . . 0.0 111.366 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -37.78 51.36 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.012 0.925 . . . . 0.0 112.403 175.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.65 65.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 111.995 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.12 -40.5 97.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.45 1.1 . . . . 0.0 112.514 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -63.95 -31.01 72.05 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.719 -1.238 . . . . 0.0 112.2 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -70.2 -17.68 63.16 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 172.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -75.96 -28.16 57.79 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.622 1.101 . . . . 0.0 112.464 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -73.21 -24.16 60.47 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 m -73.6 6.08 3.37 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -64.6 149.55 48.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.85 1.26 . . . . 0.0 113.134 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.09 145.98 52.97 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.589 0.756 . . . . 0.0 111.254 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mttm . . . . . 0 C--O 1.254 1.319 0 C-N-CA 124.827 1.251 . . . . 0.0 112.642 -169.339 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -136.81 156.2 48.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.342 1.457 . . . . 0.0 112.201 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -74.41 162.07 29.2 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.483 1.113 . . . . 0.0 112.76 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.2 -8.16 83.02 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 115.656 1.022 . . . . 0.0 115.656 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -84.05 46.44 1.2 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.727 1.611 . . . . 0.0 112.936 -175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -65.66 103.55 0.89 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.74 1.216 . . . . 0.0 112.897 -171.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.87 57.26 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.441 1.496 . . . . 0.0 116.691 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -131.76 138.94 33.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 119.175 1.487 . . . . 0.0 111.196 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.42 -36.86 3.61 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.232 2.622 . . . . 0.0 114.372 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -117.11 90.5 3.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.967 0.907 . . . . 0.0 110.392 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 14.3 tptm -94.58 125.97 39.57 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.498 2.319 . . . . 0.0 109.595 172.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -50.99 143.14 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.728 2.011 . . . . 0.0 112.524 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -79.09 -7.87 58.5 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.497 1.119 . . . . 0.0 113.326 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -122.17 -39.79 2.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.048 1.339 . . . . 0.0 113.076 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.5 -179.56 5.23 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 113.819 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -81.7 10.4 6.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.333 1.453 . . . . 0.0 113.662 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.95 133.57 51.15 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.198 -0.939 . . . . 0.0 112.05 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.94 152.92 38.33 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.423 0.63 . . . . 0.0 112.493 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -146.96 166.23 27.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.971 1.308 . . . . 0.0 112.012 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -90.71 -8.51 49.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.198 1.799 . . . . 0.0 115.037 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -130.85 136.05 48.29 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.765 1.226 . . . . 0.0 112.117 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.21 -32.69 73.38 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.469 0.707 . . . . 0.0 112.263 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -66.71 -28.04 68.12 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.663 1.185 . . . . 0.0 113.218 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -73.12 -47.23 45.95 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.527 0.603 . . . . 0.0 110.48 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.36 -45.99 90.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.758 -0.589 . . . . 0.0 111.418 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -46.2 -44.21 15.93 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.835 1.254 . . . . 0.0 112.28 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.97 74.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.195 0.998 . . . . 0.0 112.402 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -65.19 -40.76 94.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.28 1.032 . . . . 0.0 112.802 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.0 mmm -64.9 -26.69 68.42 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.613 -1.304 . . . . 0.0 112.783 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.98 -22.83 63.1 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.481 -0.762 . . . . 0.0 112.939 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.42 -34.9 68.18 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.539 1.063 . . . . 0.0 111.988 172.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -70.3 -27.26 64.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 112.28 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 m -85.26 -1.41 56.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 114.495 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -131.12 166.1 21.83 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.793 1.637 . . . . 0.0 112.402 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -129.44 157.33 42.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.307 1.443 . . . . 0.0 112.331 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.672 1.589 . . . . 0.0 112.807 -174.206 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -148.4 -59.97 0.24 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.477 1.111 . . . . 0.0 112.565 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m 54.02 23.0 3.74 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.394 1.478 . . . . 0.0 114.893 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.17 -12.29 71.88 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.675 1.131 . . . . 0.0 115.594 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -148.77 149.71 31.84 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.62 1.568 . . . . 0.0 111.45 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -80.63 -14.92 57.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.213 1.405 . . . . 0.0 113.383 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.51 -39.68 0.9 Allowed Glycine 0 CA--C 1.536 1.359 0 C-N-CA 126.1 1.809 . . . . 0.0 115.197 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -126.56 141.26 39.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.146 1.778 . . . . 0.0 111.194 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.37 -38.59 6.28 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 124.773 3.649 . . . . 0.0 114.266 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -111.7 90.48 3.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.782 0.833 . . . . 0.0 110.847 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -90.73 125.83 35.81 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.651 2.38 . . . . 0.0 110.017 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.57 143.58 15.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.783 2.033 . . . . 0.0 112.489 171.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 m -80.24 -8.48 59.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.608 1.163 . . . . 0.0 113.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.77 -39.91 2.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.994 1.318 . . . . 0.0 112.998 -169.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.61 -179.92 5.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.886 1.274 . . . . 0.0 113.004 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.51 9.42 11.34 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.475 1.11 . . . . 0.0 113.509 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.04 134.9 56.85 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.197 -0.94 . . . . 0.0 112.453 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.3 152.47 37.17 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -146.15 164.16 33.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.019 1.327 . . . . 0.0 112.301 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -90.31 -6.35 55.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.489 1.916 . . . . 0.0 114.964 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 m -130.38 130.56 44.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.331 1.053 . . . . 0.0 111.711 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.06 -32.67 72.31 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.773 0.829 . . . . 0.0 112.22 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -62.03 -35.15 77.71 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.745 1.618 . . . . 0.0 113.615 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.38 -46.28 67.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.484 0.714 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.58 -46.12 89.77 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.912 -0.493 . . . . 0.0 111.055 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -38.65 53.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.138 0.975 . . . . 0.0 112.117 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.65 -38.51 67.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.591 0.756 . . . . 0.0 112.144 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.18 -41.45 97.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.441 1.097 . . . . 0.0 112.587 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.18 -27.28 68.59 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.702 -1.249 . . . . 0.0 112.757 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -70.24 -21.04 63.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -75.28 -33.08 61.2 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.601 1.092 . . . . 0.0 112.281 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -71.85 -22.76 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -76.36 62.93 1.88 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.063 1.745 . . . . 0.0 112.684 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 t -150.56 -28.95 0.21 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.285 1.834 . . . . 0.0 112.463 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -84.36 -1.69 55.87 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.589 1.156 . . . . 0.0 113.643 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.538 2.335 . . . . 0.0 111.699 -178.538 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 53.09 35.75 20.47 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.931 1.292 . . . . 0.0 113.148 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -73.12 -20.86 60.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.344 1.457 . . . . 0.0 114.747 -169.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.15 -178.09 38.06 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.778 1.18 . . . . 0.0 114.517 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -128.13 -0.69 5.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.51 1.524 . . . . 0.0 114.685 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -86.08 169.13 13.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.996 1.318 . . . . 0.0 112.99 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.36 -175.22 54.96 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.323 1.44 . . . . 0.0 114.863 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -79.17 151.26 75.43 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.084 1.354 . . . . 0.0 112.226 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.78 -37.7 8.77 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.258 3.305 . . . . 0.0 114.025 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.9 90.72 3.41 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.126 0.97 . . . . 0.0 110.192 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.81 121.69 40.03 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.184 2.194 . . . . 0.0 108.726 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.25 132.44 19.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.843 2.057 . . . . 0.0 112.227 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -75.24 -1.89 25.49 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.227 -0.92 . . . . 0.0 113.451 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -121.09 -38.42 2.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.569 1.548 . . . . 0.0 112.498 -169.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -134.91 -174.21 3.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.116 1.366 . . . . 0.0 113.929 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -85.78 8.62 19.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.951 1.3 . . . . 0.0 113.712 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.12 139.59 58.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.244 -0.91 . . . . 0.0 112.572 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.27 154.59 38.17 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 t -145.78 160.84 41.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 112.315 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.34 -11.14 59.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.153 1.781 . . . . 0.0 113.941 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -127.29 124.37 38.6 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.146 0.978 . . . . 0.0 112.59 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.53 -35.29 72.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.221 1.008 . . . . 0.0 112.482 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 p -57.48 -33.36 67.91 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.834 1.654 . . . . 0.0 113.715 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -83.58 -38.82 21.14 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.238 1.015 . . . . 0.0 110.72 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.72 -45.48 89.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.927 0.785 . . . . 0.0 111.263 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -49.36 -43.6 44.13 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.235 1.014 . . . . 0.0 111.71 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.18 75.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.233 1.013 . . . . 0.0 112.264 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -68.15 -39.44 82.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.567 1.147 . . . . 0.0 112.559 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -32.0 73.43 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.751 1.22 . . . . 0.0 111.671 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.97 -31.44 72.63 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.488 -0.758 . . . . 0.0 112.474 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.48 -32.02 72.56 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.417 1.008 . . . . 0.0 112.537 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.1 -33.89 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.201 0.6 . . . . 0.0 112.216 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.6 t -76.47 -37.92 56.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.586 1.154 . . . . 0.0 113.999 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.8 p -71.02 150.09 45.97 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.223 -0.923 . . . . 0.0 113.292 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.89 6.8 47.33 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.31 1.444 . . . . 0.0 114.265 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.255 1.363 0 C-N-CA 126.09 1.756 . . . . 0.0 112.904 -176.384 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -91.41 -1.42 57.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.385 1.474 . . . . 0.0 114.783 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -76.98 27.44 0.14 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.218 1.807 . . . . 0.0 115.145 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.11 41.99 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.159 1.362 . . . . 0.0 113.453 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 p -77.1 56.32 1.25 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 113.003 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 61.18 167.21 0.09 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.851 2.06 . . . . 0.0 114.281 -169.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.92 157.46 50.33 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.196 0.903 . . . . 0.0 114.401 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -133.25 145.76 58.09 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 126.577 1.951 . . . . 0.0 109.842 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.0 -36.06 3.75 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.095 2.53 . . . . 0.0 113.924 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -118.19 90.4 3.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.167 0.984 . . . . 0.0 110.722 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 18.9 tptm -90.77 125.56 35.74 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.588 2.355 . . . . 0.0 109.359 171.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -51.14 137.66 21.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.42 1.888 . . . . 0.0 111.291 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 p -80.99 -2.93 49.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.062 0.945 . . . . 0.0 113.384 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -118.28 -38.02 3.25 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.262 -169.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -136.04 -176.1 4.2 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.416 1.486 . . . . 0.0 113.466 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 18.8 tt0 -84.7 8.52 16.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.991 1.316 . . . . 0.0 113.713 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.63 138.25 58.43 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.23 -0.919 . . . . 0.0 112.506 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.36 39.25 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -144.19 162.4 36.42 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.544 1.538 . . . . 0.0 111.68 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -85.0 -7.53 59.1 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.17 1.788 . . . . 0.0 113.772 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -129.03 121.52 28.08 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.371 1.068 . . . . 0.0 112.575 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.97 -35.23 74.53 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 m -66.69 -23.53 66.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.439 1.096 . . . . 0.0 113.093 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.2 -37.59 21.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.104 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.94 -45.7 91.21 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.395 -0.816 . . . . 0.0 111.332 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -48.47 -43.13 34.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.748 1.219 . . . . 0.0 111.882 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.03 77.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.984 0.914 . . . . 0.0 112.037 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -65.21 -38.0 89.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.369 1.068 . . . . 0.0 112.624 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.33 -26.02 67.1 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.736 1.215 . . . . 0.0 112.229 178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -73.92 -27.32 60.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.579 0.751 . . . . 0.0 112.815 171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.83 -31.67 72.43 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.44 1.018 . . . . 0.0 112.229 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.25 -6.86 20.09 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.4 t -74.11 -6.6 48.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 169.24 18.13 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.767 1.627 . . . . 0.0 111.614 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 52.76 43.08 31.82 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.786 1.634 . . . . 0.0 112.936 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.994 2.118 . . . . 0.0 112.338 -173.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -83.8 -16.45 44.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m 57.28 17.95 3.99 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.039 1.736 . . . . 0.0 114.831 -169.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.92 155.7 48.31 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.561 1.077 . . . . 0.0 113.288 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -153.29 170.3 20.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.832 1.253 . . . . 0.0 112.584 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -81.27 6.94 12.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.733 1.213 . . . . 0.0 113.695 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.85 -151.64 46.24 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.433 1.015 . . . . 0.0 113.302 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.79 140.47 26.17 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.652 1.181 . . . . 0.0 112.984 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -75.13 -41.84 0.58 Allowed 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 124.817 3.678 . . . . 0.0 114.201 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -111.25 90.65 3.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.155 0.979 . . . . 0.0 110.218 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.2 121.59 38.15 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.368 2.267 . . . . 0.0 108.629 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.5 133.24 20.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.723 2.009 . . . . 0.0 112.349 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -75.32 -2.09 26.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.02 -38.42 2.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.483 1.513 . . . . 0.0 112.486 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.13 -174.35 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.086 1.355 . . . . 0.0 113.988 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.88 9.23 17.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.099 1.36 . . . . 0.0 113.639 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.24 139.38 58.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.253 -0.904 . . . . 0.0 112.291 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.85 35.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.113 0.565 . . . . 0.0 112.198 168.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 t -145.44 161.29 40.06 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.129 1.372 . . . . 0.0 112.29 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.86 -9.69 58.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.046 1.738 . . . . 0.0 114.31 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -131.73 130.29 41.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.344 1.057 . . . . 0.0 112.396 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.54 -28.63 70.0 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -63.27 -35.42 80.3 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.512 1.525 . . . . 0.0 113.093 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -70.44 -45.82 65.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.639 0.776 . . . . 0.0 110.681 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.97 -43.52 95.48 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.84 -0.537 . . . . 0.0 111.107 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -38.16 62.03 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 111.989 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -38.81 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.546 0.738 . . . . 0.0 111.936 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.15 -38.09 87.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.347 1.059 . . . . 0.0 112.472 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -27.72 68.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.779 1.231 . . . . 0.0 112.053 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.85 -27.2 62.73 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.595 -0.69 . . . . 0.0 112.786 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -67.57 -31.14 71.01 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 119.615 1.098 . . . . 0.0 112.283 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.03 -8.69 57.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -82.54 10.65 6.89 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 p -70.36 156.44 39.31 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.978 1.311 . . . . 0.0 112.79 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -145.46 163.56 34.3 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.112 1.365 . . . . 0.0 112.587 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.096 1.759 . . . . 0.0 112.1 -179.552 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -84.58 -14.24 49.38 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -66.96 153.3 43.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.025 1.33 . . . . 0.0 113.266 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 173.98 44.42 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.542 1.068 . . . . 0.0 113.544 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -68.79 151.84 46.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.716 1.206 . . . . 0.0 113.327 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -147.17 165.55 29.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.447 1.499 . . . . 0.0 112.551 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.91 170.45 43.41 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.026 1.298 . . . . 0.0 113.085 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 149.21 42.32 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 125.217 1.407 . . . . 0.0 112.294 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.06 -40.67 4.59 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 124.851 3.701 . . . . 0.0 114.561 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -108.43 91.13 3.52 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.958 0.885 . . . . 0.0 110.652 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -90.93 120.65 32.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.364 2.266 . . . . 0.0 109.339 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.2 136.54 19.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.696 1.998 . . . . 0.0 112.224 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.4 p -79.04 -4.18 48.86 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -117.93 -38.49 3.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.491 1.516 . . . . 0.0 112.226 -170.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.19 -174.55 3.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.218 1.407 . . . . 0.0 113.728 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.67 7.58 22.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.931 1.292 . . . . 0.0 113.871 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.09 138.45 58.56 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.742 0.817 . . . . 0.0 112.456 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 143.75 24.73 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -139.06 160.57 39.46 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.464 . . . . 0.0 112.597 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -79.64 -13.75 59.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.293 1.837 . . . . 0.0 114.131 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.0 t -118.38 128.13 54.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.303 1.041 . . . . 0.0 112.507 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -64.63 -36.58 84.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.965 0.906 . . . . 0.0 111.783 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.4 m -68.65 -30.95 69.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.552 1.141 . . . . 0.0 112.574 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.76 -42.41 64.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.189 0.596 . . . . 0.0 111.801 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.17 -44.49 95.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.988 0.813 . . . . 0.0 111.199 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.87 -37.21 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.822 0.849 . . . . 0.0 111.898 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.82 71.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.108 0.563 . . . . 0.0 111.811 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -64.89 -36.46 84.43 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.443 1.097 . . . . 0.0 112.585 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -31.93 73.29 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.743 -1.223 . . . . 0.0 111.209 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -73.68 -22.23 60.0 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 171.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -69.25 -39.79 78.24 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.891 1.223 . . . . 0.0 111.049 169.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -60.53 -31.32 70.41 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 172.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -69.42 -6.31 29.35 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.9 p -74.24 -16.19 60.96 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.831 1.196 . . . . 0.0 113.934 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.77 107.76 5.44 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.872 1.269 . . . . 0.0 110.462 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.413 1.885 . . . . 0.0 111.659 -175.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m 61.14 170.81 0.1 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.551 1.94 . . . . 0.0 115.121 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -145.97 153.88 41.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.269 1.428 . . . . 0.0 112.385 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.27 177.78 37.87 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.632 1.11 . . . . 0.0 114.487 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 m -141.14 149.94 42.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.493 1.517 . . . . 0.0 111.934 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 p -78.02 -27.41 48.88 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.629 1.172 . . . . 0.0 113.743 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.33 -50.62 2.05 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.235 1.874 . . . . 0.0 114.739 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -101.91 150.86 37.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.383 1.873 . . . . 0.0 111.111 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.83 -36.97 16.85 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.24 3.293 . . . . 0.0 114.431 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -112.87 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.006 0.922 . . . . 0.0 110.168 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -95.15 121.29 36.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.291 2.236 . . . . 0.0 108.86 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.09 132.98 19.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.948 2.099 . . . . 0.0 112.427 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -75.42 -2.53 29.09 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.39 -38.62 2.87 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.626 1.571 . . . . 0.0 112.535 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -134.59 -174.17 3.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 0.0 113.878 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -85.39 7.24 23.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.114 1.366 . . . . 0.0 113.565 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -64.45 139.13 58.73 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.211 -0.93 . . . . 0.0 112.356 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.86 33.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -145.55 163.34 35.07 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.838 1.255 . . . . 0.0 112.504 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -84.17 -7.83 59.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.396 1.878 . . . . 0.0 114.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 131.83 45.84 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.77 -38.74 86.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.677 1.191 . . . . 0.0 112.173 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.7 p -69.24 -24.65 64.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.858 0.863 . . . . 0.0 113.231 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.88 -41.51 29.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.256 0.623 . . . . 0.0 111.487 173.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.71 -45.3 94.77 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.223 -0.923 . . . . 0.0 111.625 170.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -50.05 -42.6 50.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.307 1.043 . . . . 0.0 111.86 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.67 -38.58 80.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.946 0.898 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -66.72 -38.02 85.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.362 1.065 . . . . 0.0 112.663 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -31.85 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.607 -1.308 . . . . 0.0 111.417 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -67.84 -24.22 65.25 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.38 -0.825 . . . . 0.0 113.152 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -71.66 -37.35 70.8 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.505 1.048 . . . . 0.0 111.861 172.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -67.28 -30.41 70.27 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -81.38 10.19 6.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.409 1.483 . . . . 0.0 114.64 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -140.66 165.19 28.16 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.022 1.329 . . . . 0.0 112.146 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.19 151.86 49.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.729 1.612 . . . . 0.0 111.953 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.221 1.808 . . . . 0.0 112.84 178.008 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -73.6 152.83 40.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.397 1.079 . . . . 0.0 113.06 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.463 1.505 . . . . 0.0 111.726 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.61 157.0 52.41 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.082 0.849 . . . . 0.0 113.605 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -72.18 -24.49 61.43 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -140.12 138.35 35.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.368 1.467 . . . . 0.0 111.755 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.81 164.83 53.32 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.686 1.136 . . . . 0.0 113.828 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -124.95 136.34 27.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.688 1.195 . . . . 0.0 111.716 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.23 -38.94 2.38 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.737 3.625 . . . . 0.0 113.847 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -111.87 90.95 3.48 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.385 1.074 . . . . 0.0 110.364 -172.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -96.91 122.19 39.62 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.341 2.256 . . . . 0.0 109.005 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 t -50.23 140.61 12.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.411 1.884 . . . . 0.0 112.715 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 m -76.72 -8.64 57.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.992 . . . . 0.0 113.268 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.89 -40.38 2.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.964 1.305 . . . . 0.0 113.195 -168.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 p -126.39 -177.65 4.06 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.654 1.181 . . . . 0.0 113.155 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -87.36 12.59 11.67 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.23 138.55 58.31 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.54 -0.725 . . . . 0.0 112.33 169.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 154.24 37.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -147.55 161.46 41.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 112.405 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -84.73 -9.36 58.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.325 1.85 . . . . 0.0 114.393 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 131.02 42.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.557 1.143 . . . . 0.0 112.25 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -62.41 -28.96 70.15 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -63.93 -34.78 78.74 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.566 1.546 . . . . 0.0 113.17 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -70.04 -45.7 66.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.482 0.713 . . . . 0.0 110.568 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -63.57 -45.8 88.79 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.775 -0.578 . . . . 0.0 111.067 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.94 -35.47 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.781 1.233 . . . . 0.0 112.34 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.51 61.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.554 0.742 . . . . 0.0 112.121 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -65.03 -41.92 94.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.482 1.113 . . . . 0.0 112.475 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.6 mmm -64.59 -26.96 68.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.803 -1.186 . . . . 0.0 112.676 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -68.73 -19.02 64.33 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 113.245 172.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.3 -33.11 61.16 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.379 0.991 . . . . 0.0 112.125 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -76.06 -21.98 56.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.923 0.889 . . . . 0.0 112.896 172.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.6 m -78.1 29.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.849 1.66 . . . . 0.0 114.647 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.2 p -80.72 -18.57 47.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.982 1.313 . . . . 0.0 113.513 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.08 159.72 19.48 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.991 1.316 . . . . 0.0 113.436 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.246 1.818 . . . . 0.0 111.789 -178.76 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -64.43 -17.21 63.58 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -76.12 -9.82 58.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.455 1.502 . . . . 0.0 114.304 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.89 -156.66 51.94 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.625 1.107 . . . . 0.0 114.234 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -145.09 166.21 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.628 1.571 . . . . 0.0 112.43 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -142.37 164.35 30.37 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.357 1.463 . . . . 0.0 112.721 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.1 179.85 46.12 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.093 1.33 . . . . 0.0 112.661 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -118.45 139.32 26.75 Favored Pre-proline 0 N--CA 1.476 0.862 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.94 -43.15 0.21 Allowed 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 125.189 3.926 . . . . 0.0 114.495 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -111.06 90.69 3.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.147 0.979 . . . . 0.0 110.707 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -93.84 122.6 36.49 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.294 2.238 . . . . 0.0 108.702 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.37 134.01 19.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.074 . . . . 0.0 112.683 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 m -72.51 -4.58 31.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.954 0.901 . . . . 0.0 113.341 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -122.43 -38.47 2.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.367 1.467 . . . . 0.0 112.834 -168.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 p -134.51 -174.21 3.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.32 . . . . 0.0 114.117 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -86.18 9.58 17.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.023 1.329 . . . . 0.0 113.731 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.92 140.39 58.86 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.25 -0.906 . . . . 0.0 112.282 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.25 152.86 35.21 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.323 0.582 . . . . 0.0 112.294 168.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -142.56 160.1 40.94 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.492 1.517 . . . . 0.0 112.175 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.21 -11.09 59.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.01 1.724 . . . . 0.0 113.876 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -129.65 124.1 32.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.103 0.961 . . . . 0.0 112.673 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.02 -28.8 69.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 p -65.79 -33.44 75.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.214 1.406 . . . . 0.0 113.098 173.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -74.23 -39.32 63.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.428 0.691 . . . . 0.0 111.425 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.05 -46.69 80.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.38 -43.75 34.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.323 1.049 . . . . 0.0 111.888 173.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.96 74.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.981 0.912 . . . . 0.0 112.502 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -66.94 -38.76 86.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.544 1.138 . . . . 0.0 112.335 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -33.84 75.76 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.903 -1.123 . . . . 0.0 111.292 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -68.19 -17.11 64.24 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -75.52 -27.43 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.489 1.041 . . . . 0.0 112.35 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -75.77 -24.35 56.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.435 0.694 . . . . 0.0 112.5 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 m -71.18 0.33 8.06 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.2 p -72.85 -12.47 60.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.825 1.25 . . . . 0.0 113.892 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -131.77 140.85 49.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.795 1.638 . . . . 0.0 111.087 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.057 1.743 . . . . 0.0 112.033 -176.276 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -66.61 -21.63 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.141 0.977 . . . . 0.0 113.195 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -135.44 173.21 11.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.884 2.074 . . . . 0.0 110.365 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.14 -177.88 43.07 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.309 1.433 . . . . 0.0 114.429 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -87.45 25.91 1.34 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.206 1.802 . . . . 0.0 115.09 -169.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -57.31 140.2 50.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.999 1.32 . . . . 0.0 113.477 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.18 158.27 53.26 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.994 1.283 . . . . 0.0 114.465 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -111.01 149.94 41.19 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 125.731 1.612 . . . . 0.0 111.483 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -69.76 -37.97 8.45 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.996 3.13 . . . . 0.0 114.708 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -114.52 90.72 3.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 122.024 0.916 . . . . 0.0 110.439 -175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.35 122.46 36.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.331 2.252 . . . . 0.0 108.938 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -49.72 134.68 20.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.065 2.146 . . . . 0.0 113.051 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 m -73.82 -4.69 36.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.183 0.993 . . . . 0.0 113.331 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -122.83 -38.28 2.64 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.256 1.422 . . . . 0.0 112.966 -168.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 p -133.71 -174.65 3.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.048 1.339 . . . . 0.0 113.956 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.6 8.01 21.04 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.12 1.368 . . . . 0.0 113.579 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 139.24 58.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.216 -0.927 . . . . 0.0 112.436 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.83 150.87 32.62 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -146.01 165.83 27.86 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.905 1.282 . . . . 0.0 112.244 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -88.4 -9.43 52.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.211 1.804 . . . . 0.0 115.483 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 t -132.12 138.21 48.0 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.641 1.177 . . . . 0.0 112.512 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.17 -31.53 71.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.754 0.821 . . . . 0.0 112.538 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -68.1 -31.06 70.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 112.694 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.83 -48.18 47.98 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.481 0.712 . . . . 0.0 110.419 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.76 -42.12 99.54 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.683 -0.636 . . . . 0.0 111.594 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -38.61 62.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.086 0.955 . . . . 0.0 111.946 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.33 67.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.29 0.636 . . . . 0.0 111.811 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -65.43 -37.04 85.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.333 1.053 . . . . 0.0 112.448 174.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.03 -31.13 71.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.685 1.194 . . . . 0.0 111.445 174.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -70.27 -26.5 63.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.272 -0.892 . . . . 0.0 112.944 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtp-105 -67.61 -42.37 82.51 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.586 1.084 . . . . 0.0 111.619 170.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.79 -31.56 72.56 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 171.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -82.14 5.02 21.01 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -47.13 137.98 7.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.832 1.653 . . . . 0.0 113.569 176.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -80.79 156.89 25.96 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.947 1.699 . . . . 0.0 111.879 -173.075 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -68.97 148.75 49.69 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.432 1.093 . . . . 0.0 113.094 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -88.47 -7.66 56.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.292 1.437 . . . . 0.0 114.772 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.4 172.83 44.4 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.951 1.262 . . . . 0.0 115.007 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -144.5 172.2 13.29 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.768 1.627 . . . . 0.0 111.474 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -75.55 31.5 0.11 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.661 1.985 . . . . 0.0 115.035 -171.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.17 3.3 69.23 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.494 1.521 . . . . 0.0 115.958 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -138.63 150.17 65.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.838 1.655 . . . . 0.0 112.002 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.66 -39.14 5.04 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.849 3.699 . . . . 0.0 114.151 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -110.39 90.4 3.31 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.84 0.856 . . . . 0.0 111.127 -172.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -89.67 126.15 35.53 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.769 2.428 . . . . 0.0 110.288 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.97 146.85 10.23 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.219 2.208 . . . . 0.0 113.013 171.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -83.8 -8.33 59.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.273 . . . . 0.0 113.353 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.14 -39.22 2.71 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.067 1.347 . . . . 0.0 112.834 -169.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -130.45 -179.37 5.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.269 1.427 . . . . 0.0 113.076 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.74 9.69 11.21 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.542 1.137 . . . . 0.0 113.545 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.89 135.78 57.5 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.14 -0.975 . . . . 0.0 112.319 172.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.51 150.34 33.23 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -143.73 161.29 38.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.861 1.264 . . . . 0.0 112.384 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -87.15 -3.07 59.04 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.51 1.924 . . . . 0.0 114.495 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -131.17 129.79 42.19 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.932 0.893 . . . . 0.0 112.941 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.51 -35.63 80.0 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 112.36 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -69.09 -25.28 64.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.905 0.882 . . . . 0.0 113.214 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -77.7 -41.87 36.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.374 0.67 . . . . 0.0 111.199 173.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.78 -48.15 82.82 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.468 -0.77 . . . . 0.0 111.491 170.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -48.46 -41.91 30.99 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.531 1.132 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.15 74.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.841 0.856 . . . . 0.0 111.573 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -59.09 -37.43 77.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.322 1.049 . . . . 0.0 113.205 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 90.5 mmm -67.69 -23.94 65.35 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.757 -1.215 . . . . 0.0 112.739 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.52 -32.68 54.22 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.645 0.778 . . . . 0.0 112.099 169.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -64.86 -21.93 66.89 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.1 0.96 . . . . 0.0 113.17 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -75.03 -20.38 59.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 169.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -97.95 -31.43 12.18 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.218 1.407 . . . . 0.0 113.449 -174.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 p -68.7 149.85 48.6 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.111 0.964 . . . . 0.0 113.551 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.86 134.9 36.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.11 0.964 . . . . 0.0 111.029 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.888 1.675 . . . . 0.0 111.968 -169.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -77.23 -31.72 55.32 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 60.64 -32.29 0.07 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 129.091 2.956 . . . . 0.0 117.131 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.17 -15.7 73.82 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.162 1.363 . . . . 0.0 115.174 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -70.4 136.53 49.67 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.587 1.194 . . . . 0.0 112.489 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -76.04 -31.71 58.97 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.791 0.836 . . . . 0.0 112.532 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 -179.58 47.91 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.362 1.458 . . . . 0.0 112.97 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -126.31 152.42 73.79 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.974 1.71 . . . . 0.0 111.436 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.53 -38.36 4.58 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.106 3.204 . . . . 0.0 114.12 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.88 90.6 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.099 0.952 . . . . 0.0 110.914 -174.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -88.84 124.91 34.64 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.517 2.327 . . . . 0.0 109.85 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -51.72 134.94 30.01 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.24 1.816 . . . . 0.0 110.906 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 p -79.87 -2.87 45.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.045 0.938 . . . . 0.0 113.224 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.0 mt -118.37 -38.49 3.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.56 1.544 . . . . 0.0 112.244 -169.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.16 -175.96 4.03 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.252 1.421 . . . . 0.0 113.194 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.27 5.91 24.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.589 1.155 . . . . 0.0 113.651 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.75 136.67 57.98 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.156 -0.965 . . . . 0.0 112.619 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.71 147.85 27.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -142.01 163.68 32.22 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.458 1.503 . . . . 0.0 112.561 -172.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -83.56 -10.51 58.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.424 1.889 . . . . 0.0 114.21 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -120.09 127.15 52.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.401 1.08 . . . . 0.0 112.848 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -62.58 -33.88 75.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.445 0.698 . . . . 0.0 112.635 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -75.05 -23.83 58.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.55 -41.54 46.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.886 0.766 . . . . 0.0 111.373 171.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.24 -46.57 89.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.132 -0.98 . . . . 0.0 112.017 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -49.02 -42.62 38.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.761 1.224 . . . . 0.0 112.113 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.47 -38.06 77.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.997 0.919 . . . . 0.0 112.165 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -67.0 -38.69 86.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.596 1.159 . . . . 0.0 112.529 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -31.59 72.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.727 -1.233 . . . . 0.0 111.637 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.91 -22.27 65.08 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 172.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -73.43 -30.81 63.47 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.463 1.028 . . . . 0.0 112.361 172.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -75.8 -21.92 56.88 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.51 -7.64 59.63 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -171.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.1 p -76.55 154.66 34.33 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.126 0.97 . . . . 0.0 112.597 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -148.03 151.76 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.975 1.31 . . . . 0.0 111.274 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.89 1.676 . . . . 0.0 111.965 -179.044 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -68.45 143.88 54.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.257 1.023 . . . . 0.0 112.803 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -83.02 153.02 25.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.695 1.198 . . . . 0.0 112.954 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.82 -172.47 36.33 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.454 1.025 . . . . 0.0 114.659 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m 53.04 35.16 18.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.756 1.622 . . . . 0.0 114.834 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -61.16 137.77 58.23 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.012 1.325 . . . . 0.0 112.793 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.95 78.87 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.017 0.818 . . . . 0.0 114.974 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.4 150.67 73.06 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 126.283 1.833 . . . . 0.0 111.446 -170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -67.94 -38.97 11.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.291 3.327 . . . . 0.0 114.966 -169.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -108.13 90.22 3.23 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.903 0.858 . . . . 0.0 110.477 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -86.62 123.09 31.42 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.386 2.274 . . . . 0.0 109.925 173.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.06 134.78 38.18 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.643 169.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 p -79.54 -3.96 49.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.099 0.96 . . . . 0.0 113.16 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 mt -116.52 -38.44 3.51 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.579 1.552 . . . . 0.0 111.978 -169.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -134.35 -174.31 3.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.127 1.371 . . . . 0.0 113.419 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.63 7.99 24.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.601 1.16 . . . . 0.0 114.093 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -63.53 137.04 57.97 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.525 0.73 . . . . 0.0 112.441 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.26 34.18 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -143.55 164.39 30.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.81 1.244 . . . . 0.0 112.417 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -85.38 -9.92 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.453 1.901 . . . . 0.0 114.319 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -129.04 125.42 37.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.313 1.045 . . . . 0.0 112.164 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.57 -31.93 72.0 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -67.19 -27.19 67.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.674 1.59 . . . . 0.0 113.358 173.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -81.4 -40.32 23.61 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.922 0.889 . . . . 0.0 111.098 174.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.51 -45.86 92.25 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.293 -0.879 . . . . 0.0 111.528 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -48.56 -44.22 36.4 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.198 0.999 . . . . 0.0 111.847 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.14 70.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.26 1.024 . . . . 0.0 112.971 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -72.32 -39.72 68.0 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.434 1.094 . . . . 0.0 112.36 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -31.68 72.85 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.49 1.116 . . . . 0.0 111.638 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -62.64 -27.29 69.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.047 0.939 . . . . 0.0 113.142 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -72.95 -26.22 61.3 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.477 1.111 . . . . 0.0 112.696 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.05 -10.56 59.51 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.076 0.95 . . . . 0.0 113.264 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -86.95 6.3 32.81 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.034 1.334 . . . . 0.0 114.209 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -72.29 157.85 36.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.826 1.251 . . . . 0.0 112.948 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.42 51.15 1.92 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.961 1.305 . . . . 0.0 112.108 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.425 1.89 . . . . 0.0 112.265 -174.698 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -66.78 150.86 48.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.556 1.142 . . . . 0.0 112.988 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -75.96 -18.58 59.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.31 -175.68 47.54 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.381 1.467 . . . . 0.0 113.247 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -73.16 153.5 40.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.253 1.021 . . . . 0.0 112.226 174.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -70.62 -24.93 62.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.173 0.989 . . . . 0.0 112.993 170.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.3 -139.16 46.9 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.987 1.28 . . . . 0.0 114.421 172.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.04 146.08 59.94 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 125.469 1.508 . . . . 0.0 112.247 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.53 -38.74 5.75 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.905 3.736 . . . . 0.0 114.052 -173.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.96 90.46 3.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.018 0.927 . . . . 0.0 110.477 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.76 126.77 34.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.574 1.949 . . . . 0.0 109.414 170.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.24 138.11 26.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.008 1.723 . . . . 0.0 111.995 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -76.9 -4.82 45.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.099 0.96 . . . . 0.0 113.028 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 mt -121.76 -37.82 2.82 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.381 1.472 . . . . 0.0 112.448 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -136.51 -173.34 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.06 -7.04 55.01 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.148 1.779 . . . . 0.0 113.728 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.79 135.7 57.77 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.389 0.676 . . . . 0.0 112.574 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.83 150.95 35.14 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 170.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -144.18 162.3 36.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.978 1.311 . . . . 0.0 112.097 -174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -88.73 -7.24 56.63 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.08 1.752 . . . . 0.0 114.326 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -131.88 130.47 41.69 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.619 1.168 . . . . 0.0 111.902 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.83 -28.92 69.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -63.61 -35.12 79.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.584 1.553 . . . . 0.0 113.266 174.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.34 -46.55 66.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.559 0.744 . . . . 0.0 110.643 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.32 -43.94 93.12 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.809 -0.557 . . . . 0.0 111.441 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -52.78 -37.68 59.99 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.734 0.814 . . . . 0.0 112.079 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -42.09 63.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.203 0.601 . . . . 0.0 111.516 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.33 -35.69 81.21 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.155 0.982 . . . . 0.0 112.412 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -22.56 65.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.831 1.252 . . . . 0.0 112.183 174.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -83.49 -33.93 25.45 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.944 0.898 . . . . 0.0 112.261 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.51 -25.53 66.17 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 119.49 1.041 . . . . 0.0 113.169 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -65.26 -17.65 64.67 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 173.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -81.75 125.53 30.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.202 0.91 . . . . 0.0 110.869 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 p -140.82 162.27 35.84 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.238 1.415 . . . . 0.0 112.555 -172.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -128.66 151.78 49.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.599 1.56 . . . . 0.0 111.328 175.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 pttt . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.773 1.629 . . . . 0.0 112.879 -179.217 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -138.36 148.15 44.24 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.006 1.322 . . . . 0.0 112.216 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -74.62 -5.5 43.34 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.4 -12.69 77.05 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.655 1.121 . . . . 0.0 115.471 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -74.12 136.39 42.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.908 1.354 . . . . 0.0 112.166 176.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -83.75 10.98 8.14 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.069 1.348 . . . . 0.0 113.187 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.6 -179.93 36.36 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.945 1.259 . . . . 0.0 112.975 -169.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.65 133.99 17.05 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.177 0.991 . . . . 0.0 111.481 172.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.51 -39.61 1.01 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.555 3.503 . . . . 0.0 113.801 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -111.21 90.47 3.34 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.198 0.999 . . . . 0.0 110.165 -173.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.42 122.12 36.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.436 2.295 . . . . 0.0 108.645 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -49.23 131.86 19.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.878 2.071 . . . . 0.0 112.38 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 m -71.6 -3.87 23.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.849 0.859 . . . . 0.0 113.255 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -122.62 -38.82 2.6 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.495 1.518 . . . . 0.0 112.838 -168.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.48 3.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.846 1.258 . . . . 0.0 114.061 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -84.69 6.74 23.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.169 1.388 . . . . 0.0 113.624 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.78 139.32 58.75 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.239 -0.913 . . . . 0.0 112.472 172.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 153.69 36.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 160.14 42.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.123 1.369 . . . . 0.0 112.232 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.91 -9.29 59.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.002 1.721 . . . . 0.0 114.017 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.8 m -127.91 124.82 38.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.318 1.047 . . . . 0.0 112.785 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.66 -40.88 89.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.251 1.021 . . . . 0.0 112.455 -176.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -64.95 -23.28 67.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.43 1.092 . . . . 0.0 113.546 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -81.99 -40.29 22.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.523 0.729 . . . . 0.0 111.339 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.23 -45.82 92.95 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.288 -0.882 . . . . 0.0 111.518 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -48.17 -44.04 32.12 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.809 1.244 . . . . 0.0 111.96 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -34.45 72.01 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 112.71 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.35 -39.16 74.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.459 1.104 . . . . 0.0 112.42 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -35.39 78.08 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.961 -1.087 . . . . 0.0 111.217 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -63.23 -23.62 67.51 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -72.87 -24.93 60.93 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.203 1.001 . . . . 0.0 112.529 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -80.51 -28.84 37.33 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.349 0.66 . . . . 0.0 111.695 169.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -70.66 -34.26 71.83 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.406 1.082 . . . . 0.0 113.31 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 p -80.28 155.59 27.21 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.117 0.967 . . . . 0.0 112.646 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -136.1 156.91 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.306 1.442 . . . . 0.0 111.857 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.263 1.825 . . . . 0.0 111.627 178.543 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -62.65 -22.07 66.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -82.25 2.56 31.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.278 1.431 . . . . 0.0 114.271 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.31 162.38 36.69 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.772 1.177 . . . . 0.0 114.895 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 p -84.7 0.62 49.81 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -172.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -63.17 144.29 57.05 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.255 1.022 . . . . 0.0 112.839 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.03 151.81 21.33 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.098 1.332 . . . . 0.0 112.393 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -119.53 139.57 28.03 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 -172.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.62 -39.47 3.53 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.994 3.796 . . . . 0.0 114.099 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -108.92 90.76 3.39 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.06 0.944 . . . . 0.0 110.684 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -86.44 124.28 32.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.277 2.231 . . . . 0.0 109.966 172.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -52.9 135.62 35.95 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.754 1.622 . . . . 0.0 111.507 170.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -78.01 -5.19 50.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.55 1.14 . . . . 0.0 113.172 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.62 -38.2 3.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.404 1.482 . . . . 0.0 112.332 -169.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.47 3.54 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.189 1.395 . . . . 0.0 113.523 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 8.2 24.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.748 1.219 . . . . 0.0 114.019 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.54 138.02 58.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.524 0.73 . . . . 0.0 112.464 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.49 153.56 38.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 169.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -146.51 160.6 41.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 112.523 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.94 -10.49 57.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.286 1.834 . . . . 0.0 114.538 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -132.48 130.54 40.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.431 1.092 . . . . 0.0 112.071 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.15 -31.04 70.77 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -66.44 -26.91 67.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.507 1.123 . . . . 0.0 113.439 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -73.27 -46.24 51.04 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.576 0.626 . . . . 0.0 110.299 173.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.22 -44.66 91.2 Favored 'General case' 0 C--N 1.343 0.283 0 O-C-N 121.712 -0.618 . . . . 0.0 111.41 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -47.58 -44.0 25.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.422 1.089 . . . . 0.0 112.101 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.5 73.35 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.92 0.888 . . . . 0.0 112.2 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.47 -36.9 85.68 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.427 1.091 . . . . 0.0 112.582 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -30.0 70.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.7 -1.25 . . . . 0.0 111.606 174.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.13 -29.37 64.0 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.311 -0.868 . . . . 0.0 112.561 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -64.88 -41.42 95.65 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.445 1.02 . . . . 0.0 111.296 169.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -63.26 -38.1 89.84 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -60.53 -30.41 69.73 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.46 1.104 . . . . 0.0 113.51 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.263 14.8 t -81.71 39.7 0.56 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.458 1.103 . . . . 0.0 112.963 170.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 55.86 56.62 5.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.872 2.469 . . . . 0.0 114.399 174.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.636 1.574 . . . . 0.0 112.55 177.195 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo . . . . . 0 CA--C 1.537 0.671 0 N-CA-C 114.236 0.821 . . . . 0.0 114.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -112.29 90.73 3.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.035 0.934 . . . . 0.0 110.312 -173.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.05 121.93 40.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.508 2.323 . . . . 0.0 108.901 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.05 139.03 11.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.149 2.18 . . . . 0.0 113.134 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 p -77.34 -5.44 49.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 mt -121.52 -40.32 2.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.078 1.351 . . . . 0.0 112.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.12 -176.88 4.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.769 1.228 . . . . 0.0 113.874 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -83.84 8.24 15.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.031 1.332 . . . . 0.0 113.423 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -64.9 136.84 57.3 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.241 -0.912 . . . . 0.0 112.337 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.41 151.95 34.89 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -144.77 163.55 33.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.231 1.412 . . . . 0.0 112.245 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -87.7 -3.29 58.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.591 1.956 . . . . 0.0 114.083 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -134.84 134.94 41.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.313 0.961 . . . . 0.0 113.417 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -66.0 -31.32 72.16 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.201 1.0 . . . . 0.0 113.651 -176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.6 p -70.05 -30.16 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.76 0.824 . . . . 0.0 112.436 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -73.63 -42.45 61.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.999 0.92 . . . . 0.0 110.952 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.23 -45.8 93.04 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.702 -0.624 . . . . 0.0 111.295 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.45 -36.88 62.08 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.491 -0.755 . . . . 0.0 112.294 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.63 72.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.379 0.672 . . . . 0.0 111.983 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -67.12 -41.11 86.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.483 1.113 . . . . 0.0 112.735 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.9 mmm -66.27 -26.99 67.6 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.755 -1.215 . . . . 0.0 112.721 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 . . . . . 0 CA--C 1.543 0.705 0 O-C-N 121.497 -0.752 . . . . 0.0 112.523 171.705 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 CA--C 1.537 0.673 0 N-CA-C 113.953 0.713 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -108.75 90.69 3.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.113 0.965 . . . . 0.0 110.328 -173.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -97.9 121.81 40.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.7 2.4 . . . . 0.0 108.961 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 t -49.2 139.21 11.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.174 2.189 . . . . 0.0 113.195 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 p -76.99 -6.06 51.14 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.1 -40.57 2.59 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 p -128.07 -177.21 4.05 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.657 1.183 . . . . 0.0 113.788 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.79 8.25 15.3 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.953 1.301 . . . . 0.0 113.471 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.03 137.49 57.74 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.159 -0.963 . . . . 0.0 112.58 172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 154.24 37.76 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -146.47 159.81 42.92 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.996 1.318 . . . . 0.0 112.305 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -78.74 -10.36 59.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.861 1.665 . . . . 0.0 113.878 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.9 m -126.75 122.56 35.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.336 1.055 . . . . 0.0 112.813 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.77 -31.45 72.41 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -65.89 -31.35 72.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.274 1.43 . . . . 0.0 112.913 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -77.12 -40.9 44.07 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.154 0.982 . . . . 0.0 111.096 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.89 -46.49 89.16 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.451 -0.781 . . . . 0.0 111.071 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -37.38 56.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.988 0.915 . . . . 0.0 112.361 175.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.8 68.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.399 0.679 . . . . 0.0 112.138 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -64.69 -40.26 95.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.273 1.029 . . . . 0.0 112.713 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.16 -27.38 69.03 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.856 -1.153 . . . . 0.0 112.572 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 171.665 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo . . . . . 0 CA--C 1.538 0.681 0 N-CA-C 113.898 0.692 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.66 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.906 0.882 . . . . 0.0 111.106 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -86.64 126.67 34.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.378 2.271 . . . . 0.0 109.611 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.0 t -50.48 142.01 11.28 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.537 1.935 . . . . 0.0 112.326 170.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -76.35 -8.38 57.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.076 0.95 . . . . 0.0 113.184 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.74 -39.93 2.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.97 1.308 . . . . 0.0 113.218 -168.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -127.32 -177.56 4.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.719 1.207 . . . . 0.0 113.831 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.38 2.4 28.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -61.48 134.58 57.04 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.3 -0.875 . . . . 0.0 112.513 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.8 153.67 39.49 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -146.69 162.55 38.26 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.808 1.243 . . . . 0.0 112.235 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -79.95 -13.02 59.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.16 1.784 . . . . 0.0 114.151 174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -124.48 123.72 40.74 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.033 0.933 . . . . 0.0 112.524 -175.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.83 -36.68 77.32 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.179 0.992 . . . . 0.0 112.185 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 p -64.4 -27.79 69.25 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.491 1.517 . . . . 0.0 113.736 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.7 -41.66 23.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.992 0.917 . . . . 0.0 111.11 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.36 -46.53 88.38 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.459 -0.776 . . . . 0.0 111.425 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -48.7 -43.13 36.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.504 1.122 . . . . 0.0 112.105 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.97 75.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.14 0.976 . . . . 0.0 112.378 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -67.82 -42.48 81.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.411 1.085 . . . . 0.0 112.657 170.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 93.7 mmm -63.54 -28.33 69.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.712 -1.243 . . . . 0.0 112.902 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 . . . . . 0 CA--C 1.546 0.815 0 O-C-N 121.455 -0.778 . . . . 0.0 112.479 171.772 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 115.029 1.127 . . . . 0.0 115.029 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.68 90.68 3.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.744 0.783 . . . . 0.0 110.5 -173.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -91.76 121.09 33.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.359 2.263 . . . . 0.0 109.625 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.59 142.96 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.814 2.046 . . . . 0.0 113.214 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m -77.88 -9.32 59.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.395 1.078 . . . . 0.0 113.313 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.62 -40.31 2.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.836 1.255 . . . . 0.0 113.117 -169.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.2 p -126.21 -177.96 4.15 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.713 1.205 . . . . 0.0 113.35 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.94 9.83 13.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.678 1.191 . . . . 0.0 113.88 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -63.9 136.34 57.29 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.399 0.679 . . . . 0.0 112.341 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.57 142.49 24.78 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -138.67 163.5 31.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.107 1.363 . . . . 0.0 112.38 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -90.29 0.84 57.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.787 2.035 . . . . 0.0 115.003 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -135.65 135.66 40.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.323 1.049 . . . . 0.0 112.307 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.88 -29.43 70.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.57 0.748 . . . . 0.0 112.471 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -71.17 -31.62 67.89 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.544 1.138 . . . . 0.0 112.682 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.14 -47.69 64.36 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.084 0.554 . . . . 0.0 110.368 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.8 -45.89 92.66 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.899 -0.5 . . . . 0.0 111.366 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -37.78 51.36 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.012 0.925 . . . . 0.0 112.403 175.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.65 65.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 111.995 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.12 -40.5 97.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.45 1.1 . . . . 0.0 112.514 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -63.95 -31.01 72.05 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.719 -1.238 . . . . 0.0 112.2 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 172.392 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 CA--C 1.54 0.82 0 N-CA-C 114.372 0.874 . . . . 0.0 114.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -117.11 90.5 3.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.967 0.907 . . . . 0.0 110.392 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 14.3 tptm -94.58 125.97 39.57 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.498 2.319 . . . . 0.0 109.595 172.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -50.99 143.14 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.728 2.011 . . . . 0.0 112.524 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -79.09 -7.87 58.5 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.497 1.119 . . . . 0.0 113.326 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -122.17 -39.79 2.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.048 1.339 . . . . 0.0 113.076 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.5 -179.56 5.23 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 113.819 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -81.7 10.4 6.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.333 1.453 . . . . 0.0 113.662 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.95 133.57 51.15 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.198 -0.939 . . . . 0.0 112.05 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.94 152.92 38.33 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.423 0.63 . . . . 0.0 112.493 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -146.96 166.23 27.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.971 1.308 . . . . 0.0 112.012 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -90.71 -8.51 49.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.198 1.799 . . . . 0.0 115.037 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -130.85 136.05 48.29 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.765 1.226 . . . . 0.0 112.117 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.21 -32.69 73.38 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.469 0.707 . . . . 0.0 112.263 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -66.71 -28.04 68.12 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.663 1.185 . . . . 0.0 113.218 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -73.12 -47.23 45.95 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.527 0.603 . . . . 0.0 110.48 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.36 -45.99 90.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.758 -0.589 . . . . 0.0 111.418 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -46.2 -44.21 15.93 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.835 1.254 . . . . 0.0 112.28 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.97 74.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.195 0.998 . . . . 0.0 112.402 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -65.19 -40.76 94.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.28 1.032 . . . . 0.0 112.802 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.0 mmm -64.9 -26.69 68.42 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.613 -1.304 . . . . 0.0 112.783 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 . . . . . 0 CA--C 1.547 0.851 0 O-C-N 121.481 -0.762 . . . . 0.0 112.939 171.193 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 CA--C 1.539 0.734 0 N-CA-C 114.266 0.833 . . . . 0.0 114.266 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -111.7 90.48 3.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.782 0.833 . . . . 0.0 110.847 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -90.73 125.83 35.81 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.651 2.38 . . . . 0.0 110.017 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.57 143.58 15.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.783 2.033 . . . . 0.0 112.489 171.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 m -80.24 -8.48 59.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.608 1.163 . . . . 0.0 113.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.77 -39.91 2.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.994 1.318 . . . . 0.0 112.998 -169.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.61 -179.92 5.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.886 1.274 . . . . 0.0 113.004 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.51 9.42 11.34 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.475 1.11 . . . . 0.0 113.509 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.04 134.9 56.85 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.197 -0.94 . . . . 0.0 112.453 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.3 152.47 37.17 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -146.15 164.16 33.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.019 1.327 . . . . 0.0 112.301 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -90.31 -6.35 55.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.489 1.916 . . . . 0.0 114.964 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 m -130.38 130.56 44.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.331 1.053 . . . . 0.0 111.711 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.06 -32.67 72.31 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.773 0.829 . . . . 0.0 112.22 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -62.03 -35.15 77.71 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.745 1.618 . . . . 0.0 113.615 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.38 -46.28 67.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.484 0.714 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.58 -46.12 89.77 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.912 -0.493 . . . . 0.0 111.055 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -38.65 53.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.138 0.975 . . . . 0.0 112.117 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.65 -38.51 67.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.591 0.756 . . . . 0.0 112.144 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.18 -41.45 97.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.441 1.097 . . . . 0.0 112.587 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.18 -27.28 68.59 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.702 -1.249 . . . . 0.0 112.757 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 171.157 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo . . . . . 0 CA--C 1.538 0.678 0 N-CA-C 114.025 0.741 . . . . 0.0 114.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.9 90.72 3.41 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.126 0.97 . . . . 0.0 110.192 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.81 121.69 40.03 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.184 2.194 . . . . 0.0 108.726 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.25 132.44 19.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.843 2.057 . . . . 0.0 112.227 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -75.24 -1.89 25.49 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.227 -0.92 . . . . 0.0 113.451 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -121.09 -38.42 2.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.569 1.548 . . . . 0.0 112.498 -169.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -134.91 -174.21 3.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.116 1.366 . . . . 0.0 113.929 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -85.78 8.62 19.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.951 1.3 . . . . 0.0 113.712 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.12 139.59 58.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.244 -0.91 . . . . 0.0 112.572 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.27 154.59 38.17 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 t -145.78 160.84 41.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 112.315 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.34 -11.14 59.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.153 1.781 . . . . 0.0 113.941 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -127.29 124.37 38.6 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.146 0.978 . . . . 0.0 112.59 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.53 -35.29 72.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.221 1.008 . . . . 0.0 112.482 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 p -57.48 -33.36 67.91 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.834 1.654 . . . . 0.0 113.715 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -83.58 -38.82 21.14 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.238 1.015 . . . . 0.0 110.72 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.72 -45.48 89.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.927 0.785 . . . . 0.0 111.263 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -49.36 -43.6 44.13 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.235 1.014 . . . . 0.0 111.71 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.18 75.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.233 1.013 . . . . 0.0 112.264 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -68.15 -39.44 82.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.567 1.147 . . . . 0.0 112.559 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -32.0 73.43 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.751 1.22 . . . . 0.0 111.671 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 . . . . . 0 CA--C 1.544 0.734 0 O-C-N 121.488 -0.758 . . . . 0.0 112.474 172.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 CA--C 1.538 0.685 0 N-CA-C 113.924 0.701 . . . . 0.0 113.924 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -118.19 90.4 3.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.167 0.984 . . . . 0.0 110.722 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 18.9 tptm -90.77 125.56 35.74 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.588 2.355 . . . . 0.0 109.359 171.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -51.14 137.66 21.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.42 1.888 . . . . 0.0 111.291 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 p -80.99 -2.93 49.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.062 0.945 . . . . 0.0 113.384 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -118.28 -38.02 3.25 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.262 -169.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -136.04 -176.1 4.2 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.416 1.486 . . . . 0.0 113.466 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 18.8 tt0 -84.7 8.52 16.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.991 1.316 . . . . 0.0 113.713 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.63 138.25 58.43 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.23 -0.919 . . . . 0.0 112.506 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.36 39.25 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -144.19 162.4 36.42 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.544 1.538 . . . . 0.0 111.68 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -85.0 -7.53 59.1 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.17 1.788 . . . . 0.0 113.772 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -129.03 121.52 28.08 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.371 1.068 . . . . 0.0 112.575 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.97 -35.23 74.53 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 m -66.69 -23.53 66.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.439 1.096 . . . . 0.0 113.093 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.2 -37.59 21.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.104 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.94 -45.7 91.21 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.395 -0.816 . . . . 0.0 111.332 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -48.47 -43.13 34.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.748 1.219 . . . . 0.0 111.882 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.03 77.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.984 0.914 . . . . 0.0 112.037 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -65.21 -38.0 89.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.369 1.068 . . . . 0.0 112.624 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.33 -26.02 67.1 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.736 1.215 . . . . 0.0 112.229 178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 123.579 0.751 . . . . 0.0 112.815 171.834 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 N-CA-C 114.201 0.808 . . . . 0.0 114.201 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -111.25 90.65 3.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.155 0.979 . . . . 0.0 110.218 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.2 121.59 38.15 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.368 2.267 . . . . 0.0 108.629 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.5 133.24 20.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.723 2.009 . . . . 0.0 112.349 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -75.32 -2.09 26.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.02 -38.42 2.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.483 1.513 . . . . 0.0 112.486 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.13 -174.35 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.086 1.355 . . . . 0.0 113.988 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.88 9.23 17.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.099 1.36 . . . . 0.0 113.639 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.24 139.38 58.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.253 -0.904 . . . . 0.0 112.291 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.85 35.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.113 0.565 . . . . 0.0 112.198 168.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 t -145.44 161.29 40.06 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.129 1.372 . . . . 0.0 112.29 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.86 -9.69 58.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.046 1.738 . . . . 0.0 114.31 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -131.73 130.29 41.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.344 1.057 . . . . 0.0 112.396 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.54 -28.63 70.0 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -63.27 -35.42 80.3 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.512 1.525 . . . . 0.0 113.093 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -70.44 -45.82 65.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.639 0.776 . . . . 0.0 110.681 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.97 -43.52 95.48 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.84 -0.537 . . . . 0.0 111.107 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -38.16 62.03 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 111.989 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -38.81 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.546 0.738 . . . . 0.0 111.936 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.15 -38.09 87.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.347 1.059 . . . . 0.0 112.472 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -27.72 68.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.779 1.231 . . . . 0.0 112.053 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 . . . . . 0 CA--C 1.546 0.816 0 O-C-N 121.595 -0.69 . . . . 0.0 112.786 172.016 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo . . . . . 0 CA--C 1.539 0.757 0 N-CA-C 114.561 0.946 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -108.43 91.13 3.52 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.958 0.885 . . . . 0.0 110.652 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -90.93 120.65 32.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.364 2.266 . . . . 0.0 109.339 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.2 136.54 19.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.696 1.998 . . . . 0.0 112.224 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.4 p -79.04 -4.18 48.86 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -117.93 -38.49 3.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.491 1.516 . . . . 0.0 112.226 -170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.19 -174.55 3.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.218 1.407 . . . . 0.0 113.728 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.67 7.58 22.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.931 1.292 . . . . 0.0 113.871 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.09 138.45 58.56 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.742 0.817 . . . . 0.0 112.456 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 143.75 24.73 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -139.06 160.57 39.46 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.464 . . . . 0.0 112.597 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -79.64 -13.75 59.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.293 1.837 . . . . 0.0 114.131 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.0 t -118.38 128.13 54.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.303 1.041 . . . . 0.0 112.507 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -64.63 -36.58 84.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.965 0.906 . . . . 0.0 111.783 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.4 m -68.65 -30.95 69.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.552 1.141 . . . . 0.0 112.574 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.76 -42.41 64.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.189 0.596 . . . . 0.0 111.801 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.17 -44.49 95.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.988 0.813 . . . . 0.0 111.199 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.87 -37.21 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.822 0.849 . . . . 0.0 111.898 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.82 71.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.108 0.563 . . . . 0.0 111.811 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -64.89 -36.46 84.43 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.443 1.097 . . . . 0.0 112.585 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -31.93 73.29 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.743 -1.223 . . . . 0.0 111.209 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 171.391 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 CA--C 1.538 0.725 0 N-CA-C 114.431 0.896 . . . . 0.0 114.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -112.87 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.006 0.922 . . . . 0.0 110.168 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -95.15 121.29 36.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.291 2.236 . . . . 0.0 108.86 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.09 132.98 19.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.948 2.099 . . . . 0.0 112.427 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -75.42 -2.53 29.09 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.39 -38.62 2.87 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.626 1.571 . . . . 0.0 112.535 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -134.59 -174.17 3.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 0.0 113.878 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -85.39 7.24 23.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.114 1.366 . . . . 0.0 113.565 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -64.45 139.13 58.73 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.211 -0.93 . . . . 0.0 112.356 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.86 33.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -145.55 163.34 35.07 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.838 1.255 . . . . 0.0 112.504 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -84.17 -7.83 59.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.396 1.878 . . . . 0.0 114.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 131.83 45.84 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.77 -38.74 86.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.677 1.191 . . . . 0.0 112.173 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.7 p -69.24 -24.65 64.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.858 0.863 . . . . 0.0 113.231 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.88 -41.51 29.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.256 0.623 . . . . 0.0 111.487 173.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.71 -45.3 94.77 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.223 -0.923 . . . . 0.0 111.625 170.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -50.05 -42.6 50.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.307 1.043 . . . . 0.0 111.86 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.67 -38.58 80.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.946 0.898 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -66.72 -38.02 85.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.362 1.065 . . . . 0.0 112.663 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -31.85 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.607 -1.308 . . . . 0.0 111.417 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 CA--C 1.546 0.81 0 O-C-N 121.38 -0.825 . . . . 0.0 113.152 172.342 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.847 0.672 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -111.87 90.95 3.48 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.385 1.074 . . . . 0.0 110.364 -172.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -96.91 122.19 39.62 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.341 2.256 . . . . 0.0 109.005 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 t -50.23 140.61 12.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.411 1.884 . . . . 0.0 112.715 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 m -76.72 -8.64 57.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.992 . . . . 0.0 113.268 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.89 -40.38 2.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.964 1.305 . . . . 0.0 113.195 -168.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 p -126.39 -177.65 4.06 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.654 1.181 . . . . 0.0 113.155 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -87.36 12.59 11.67 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.23 138.55 58.31 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.54 -0.725 . . . . 0.0 112.33 169.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 154.24 37.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -147.55 161.46 41.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 112.405 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -84.73 -9.36 58.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.325 1.85 . . . . 0.0 114.393 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 131.02 42.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.557 1.143 . . . . 0.0 112.25 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -62.41 -28.96 70.15 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -63.93 -34.78 78.74 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.566 1.546 . . . . 0.0 113.17 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -70.04 -45.7 66.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.482 0.713 . . . . 0.0 110.568 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -63.57 -45.8 88.79 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.775 -0.578 . . . . 0.0 111.067 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.94 -35.47 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.781 1.233 . . . . 0.0 112.34 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.51 61.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.554 0.742 . . . . 0.0 112.121 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -65.03 -41.92 94.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.482 1.113 . . . . 0.0 112.475 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.6 mmm -64.59 -26.96 68.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.803 -1.186 . . . . 0.0 112.676 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.546 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 113.245 172.247 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 CA--C 1.541 0.842 0 N-CA-C 114.495 0.921 . . . . 0.0 114.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -111.06 90.69 3.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.147 0.979 . . . . 0.0 110.707 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -93.84 122.6 36.49 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.294 2.238 . . . . 0.0 108.702 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.37 134.01 19.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.074 . . . . 0.0 112.683 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 m -72.51 -4.58 31.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.954 0.901 . . . . 0.0 113.341 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -122.43 -38.47 2.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.367 1.467 . . . . 0.0 112.834 -168.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 p -134.51 -174.21 3.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.32 . . . . 0.0 114.117 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -86.18 9.58 17.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.023 1.329 . . . . 0.0 113.731 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.92 140.39 58.86 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.25 -0.906 . . . . 0.0 112.282 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.25 152.86 35.21 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.323 0.582 . . . . 0.0 112.294 168.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -142.56 160.1 40.94 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.492 1.517 . . . . 0.0 112.175 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.21 -11.09 59.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.01 1.724 . . . . 0.0 113.876 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -129.65 124.1 32.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.103 0.961 . . . . 0.0 112.673 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.02 -28.8 69.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 p -65.79 -33.44 75.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.214 1.406 . . . . 0.0 113.098 173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -74.23 -39.32 63.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.428 0.691 . . . . 0.0 111.425 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.05 -46.69 80.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.38 -43.75 34.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.323 1.049 . . . . 0.0 111.888 173.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.96 74.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.981 0.912 . . . . 0.0 112.502 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -66.94 -38.76 86.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.544 1.138 . . . . 0.0 112.335 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -33.84 75.76 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.903 -1.123 . . . . 0.0 111.292 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 173.53 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.537 0.667 0 N-CA-C 114.708 1.003 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -114.52 90.72 3.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 122.024 0.916 . . . . 0.0 110.439 -175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.35 122.46 36.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.331 2.252 . . . . 0.0 108.938 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -49.72 134.68 20.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.065 2.146 . . . . 0.0 113.051 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 m -73.82 -4.69 36.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.183 0.993 . . . . 0.0 113.331 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -122.83 -38.28 2.64 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.256 1.422 . . . . 0.0 112.966 -168.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 p -133.71 -174.65 3.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.048 1.339 . . . . 0.0 113.956 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.6 8.01 21.04 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.12 1.368 . . . . 0.0 113.579 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 139.24 58.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.216 -0.927 . . . . 0.0 112.436 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.83 150.87 32.62 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -146.01 165.83 27.86 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.905 1.282 . . . . 0.0 112.244 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -88.4 -9.43 52.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.211 1.804 . . . . 0.0 115.483 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 t -132.12 138.21 48.0 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.641 1.177 . . . . 0.0 112.512 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.17 -31.53 71.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.754 0.821 . . . . 0.0 112.538 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -68.1 -31.06 70.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 112.694 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.83 -48.18 47.98 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.481 0.712 . . . . 0.0 110.419 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.76 -42.12 99.54 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.683 -0.636 . . . . 0.0 111.594 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -38.61 62.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.086 0.955 . . . . 0.0 111.946 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.33 67.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.29 0.636 . . . . 0.0 111.811 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -65.43 -37.04 85.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.333 1.053 . . . . 0.0 112.448 174.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.03 -31.13 71.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.685 1.194 . . . . 0.0 111.445 174.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 CA--C 1.546 0.811 0 O-C-N 121.272 -0.892 . . . . 0.0 112.944 171.725 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.151 0.789 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -110.39 90.4 3.31 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.84 0.856 . . . . 0.0 111.127 -172.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -89.67 126.15 35.53 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.769 2.428 . . . . 0.0 110.288 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.97 146.85 10.23 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.219 2.208 . . . . 0.0 113.013 171.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -83.8 -8.33 59.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.273 . . . . 0.0 113.353 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.14 -39.22 2.71 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.067 1.347 . . . . 0.0 112.834 -169.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -130.45 -179.37 5.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.269 1.427 . . . . 0.0 113.076 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.74 9.69 11.21 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.542 1.137 . . . . 0.0 113.545 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.89 135.78 57.5 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.14 -0.975 . . . . 0.0 112.319 172.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.51 150.34 33.23 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -143.73 161.29 38.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.861 1.264 . . . . 0.0 112.384 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -87.15 -3.07 59.04 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.51 1.924 . . . . 0.0 114.495 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -131.17 129.79 42.19 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.932 0.893 . . . . 0.0 112.941 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.51 -35.63 80.0 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 112.36 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -69.09 -25.28 64.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.905 0.882 . . . . 0.0 113.214 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -77.7 -41.87 36.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.374 0.67 . . . . 0.0 111.199 173.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.78 -48.15 82.82 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.468 -0.77 . . . . 0.0 111.491 170.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -48.46 -41.91 30.99 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.531 1.132 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.15 74.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.841 0.856 . . . . 0.0 111.573 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -59.09 -37.43 77.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.322 1.049 . . . . 0.0 113.205 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 90.5 mmm -67.69 -23.94 65.35 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.757 -1.215 . . . . 0.0 112.739 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 123.645 0.778 . . . . 0.0 112.099 169.547 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 CA--C 1.541 0.852 0 N-CA-C 114.12 0.777 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.88 90.6 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.099 0.952 . . . . 0.0 110.914 -174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -88.84 124.91 34.64 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.517 2.327 . . . . 0.0 109.85 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -51.72 134.94 30.01 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.24 1.816 . . . . 0.0 110.906 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 p -79.87 -2.87 45.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.045 0.938 . . . . 0.0 113.224 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.0 mt -118.37 -38.49 3.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.56 1.544 . . . . 0.0 112.244 -169.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.16 -175.96 4.03 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.252 1.421 . . . . 0.0 113.194 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.27 5.91 24.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.589 1.155 . . . . 0.0 113.651 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.75 136.67 57.98 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.156 -0.965 . . . . 0.0 112.619 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.71 147.85 27.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -142.01 163.68 32.22 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.458 1.503 . . . . 0.0 112.561 -172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -83.56 -10.51 58.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.424 1.889 . . . . 0.0 114.21 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -120.09 127.15 52.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.401 1.08 . . . . 0.0 112.848 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -62.58 -33.88 75.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.445 0.698 . . . . 0.0 112.635 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -75.05 -23.83 58.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.55 -41.54 46.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.886 0.766 . . . . 0.0 111.373 171.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.24 -46.57 89.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.132 -0.98 . . . . 0.0 112.017 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -49.02 -42.62 38.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.761 1.224 . . . . 0.0 112.113 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.47 -38.06 77.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.997 0.919 . . . . 0.0 112.165 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -67.0 -38.69 86.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.596 1.159 . . . . 0.0 112.529 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -31.59 72.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.727 -1.233 . . . . 0.0 111.637 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.547 0.846 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 172.905 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.535 0.558 0 N-CA-C 114.966 1.102 . . . . 0.0 114.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -108.13 90.22 3.23 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.903 0.858 . . . . 0.0 110.477 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -86.62 123.09 31.42 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.386 2.274 . . . . 0.0 109.925 173.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.06 134.78 38.18 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.643 169.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 p -79.54 -3.96 49.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.099 0.96 . . . . 0.0 113.16 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 mt -116.52 -38.44 3.51 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.579 1.552 . . . . 0.0 111.978 -169.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -134.35 -174.31 3.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.127 1.371 . . . . 0.0 113.419 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.63 7.99 24.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.601 1.16 . . . . 0.0 114.093 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -63.53 137.04 57.97 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.525 0.73 . . . . 0.0 112.441 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.26 34.18 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -143.55 164.39 30.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.81 1.244 . . . . 0.0 112.417 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -85.38 -9.92 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.453 1.901 . . . . 0.0 114.319 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -129.04 125.42 37.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.313 1.045 . . . . 0.0 112.164 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.57 -31.93 72.0 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -67.19 -27.19 67.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.674 1.59 . . . . 0.0 113.358 173.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -81.4 -40.32 23.61 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.922 0.889 . . . . 0.0 111.098 174.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.51 -45.86 92.25 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.293 -0.879 . . . . 0.0 111.528 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -48.56 -44.22 36.4 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.198 0.999 . . . . 0.0 111.847 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.14 70.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.26 1.024 . . . . 0.0 112.971 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -72.32 -39.72 68.0 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.434 1.094 . . . . 0.0 112.36 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -31.68 72.85 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.49 1.116 . . . . 0.0 111.638 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 124.047 0.939 . . . . 0.0 113.142 172.303 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.052 0.751 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.96 90.46 3.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.018 0.927 . . . . 0.0 110.477 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.76 126.77 34.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.574 1.949 . . . . 0.0 109.414 170.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.24 138.11 26.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.008 1.723 . . . . 0.0 111.995 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -76.9 -4.82 45.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.099 0.96 . . . . 0.0 113.028 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 mt -121.76 -37.82 2.82 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.381 1.472 . . . . 0.0 112.448 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -136.51 -173.34 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.06 -7.04 55.01 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.148 1.779 . . . . 0.0 113.728 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.79 135.7 57.77 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.389 0.676 . . . . 0.0 112.574 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.83 150.95 35.14 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 170.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -144.18 162.3 36.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.978 1.311 . . . . 0.0 112.097 -174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -88.73 -7.24 56.63 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.08 1.752 . . . . 0.0 114.326 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -131.88 130.47 41.69 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.619 1.168 . . . . 0.0 111.902 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.83 -28.92 69.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -63.61 -35.12 79.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.584 1.553 . . . . 0.0 113.266 174.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.34 -46.55 66.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.559 0.744 . . . . 0.0 110.643 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.32 -43.94 93.12 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.809 -0.557 . . . . 0.0 111.441 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -52.78 -37.68 59.99 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.734 0.814 . . . . 0.0 112.079 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -42.09 63.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.203 0.601 . . . . 0.0 111.516 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.33 -35.69 81.21 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.155 0.982 . . . . 0.0 112.412 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -22.56 65.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.831 1.252 . . . . 0.0 112.183 174.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 123.944 0.898 . . . . 0.0 112.261 169.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HD2' ' A' ' 20' ' ' ARG . 92.8 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 113.801 0.654 . . . . 0.0 113.801 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -111.21 90.47 3.34 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.198 0.999 . . . . 0.0 110.165 -173.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.42 122.12 36.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.436 2.295 . . . . 0.0 108.645 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -49.23 131.86 19.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.878 2.071 . . . . 0.0 112.38 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 m -71.6 -3.87 23.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.849 0.859 . . . . 0.0 113.255 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -122.62 -38.82 2.6 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.495 1.518 . . . . 0.0 112.838 -168.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.48 3.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.846 1.258 . . . . 0.0 114.061 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -84.69 6.74 23.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.169 1.388 . . . . 0.0 113.624 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.78 139.32 58.75 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.239 -0.913 . . . . 0.0 112.472 172.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 153.69 36.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 160.14 42.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.123 1.369 . . . . 0.0 112.232 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HD2' ' HD2' ' A' ' 9' ' ' PRO . 16.5 mmm180 -80.91 -9.29 59.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.002 1.721 . . . . 0.0 114.017 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.8 m -127.91 124.82 38.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.318 1.047 . . . . 0.0 112.785 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.66 -40.88 89.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.251 1.021 . . . . 0.0 112.455 -176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -64.95 -23.28 67.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.43 1.092 . . . . 0.0 113.546 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -81.99 -40.29 22.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.523 0.729 . . . . 0.0 111.339 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.23 -45.82 92.95 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.288 -0.882 . . . . 0.0 111.518 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -48.17 -44.04 32.12 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.809 1.244 . . . . 0.0 111.96 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -34.45 72.01 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 112.71 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.35 -39.16 74.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.459 1.104 . . . . 0.0 112.42 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -35.39 78.08 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.961 -1.087 . . . . 0.0 111.217 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.881 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 N-CA-C 114.099 0.769 . . . . 0.0 114.099 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -108.92 90.76 3.39 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.06 0.944 . . . . 0.0 110.684 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -86.44 124.28 32.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.277 2.231 . . . . 0.0 109.966 172.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -52.9 135.62 35.95 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.754 1.622 . . . . 0.0 111.507 170.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -78.01 -5.19 50.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.55 1.14 . . . . 0.0 113.172 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.62 -38.2 3.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.404 1.482 . . . . 0.0 112.332 -169.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.47 3.54 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.189 1.395 . . . . 0.0 113.523 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 8.2 24.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.748 1.219 . . . . 0.0 114.019 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.54 138.02 58.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.524 0.73 . . . . 0.0 112.464 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.49 153.56 38.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 169.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -146.51 160.6 41.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 112.523 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.94 -10.49 57.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.286 1.834 . . . . 0.0 114.538 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -132.48 130.54 40.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.431 1.092 . . . . 0.0 112.071 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.15 -31.04 70.77 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -66.44 -26.91 67.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.507 1.123 . . . . 0.0 113.439 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -73.27 -46.24 51.04 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.576 0.626 . . . . 0.0 110.299 173.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.22 -44.66 91.2 Favored 'General case' 0 C--N 1.343 0.283 0 O-C-N 121.712 -0.618 . . . . 0.0 111.41 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -47.58 -44.0 25.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.422 1.089 . . . . 0.0 112.101 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.5 73.35 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.92 0.888 . . . . 0.0 112.2 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.47 -36.9 85.68 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.427 1.091 . . . . 0.0 112.582 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -30.0 70.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.7 -1.25 . . . . 0.0 111.606 174.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 121.311 -0.868 . . . . 0.0 112.561 171.618 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -146.14 161.57 39.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.467 1.507 . . . . 0.0 112.447 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -68.13 142.71 55.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.429 1.092 . . . . 0.0 112.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.04 173.36 54.92 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.456 1.027 . . . . 0.0 114.125 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m -81.1 -11.79 59.41 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 m 54.55 23.9 4.97 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.546 1.938 . . . . 0.0 115.87 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.42 -33.64 0.68 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.18 1.848 . . . . 0.0 115.807 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.43 143.85 47.02 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.952 1.701 . . . . 0.0 112.43 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -70.41 -39.66 5.05 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 124.959 3.773 . . . . 0.0 114.236 -173.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -112.29 90.73 3.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.035 0.934 . . . . 0.0 110.312 -173.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.05 121.93 40.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.508 2.323 . . . . 0.0 108.901 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.05 139.03 11.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.149 2.18 . . . . 0.0 113.134 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 p -77.34 -5.44 49.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 mt -121.52 -40.32 2.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.078 1.351 . . . . 0.0 112.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.12 -176.88 4.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.769 1.228 . . . . 0.0 113.874 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -83.84 8.24 15.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.031 1.332 . . . . 0.0 113.423 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -64.9 136.84 57.3 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.241 -0.912 . . . . 0.0 112.337 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.41 151.95 34.89 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -144.77 163.55 33.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.231 1.412 . . . . 0.0 112.245 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -87.7 -3.29 58.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.591 1.956 . . . . 0.0 114.083 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -134.84 134.94 41.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.313 0.961 . . . . 0.0 113.417 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -66.0 -31.32 72.16 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.201 1.0 . . . . 0.0 113.651 -176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.6 p -70.05 -30.16 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.76 0.824 . . . . 0.0 112.436 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -73.63 -42.45 61.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.999 0.92 . . . . 0.0 110.952 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.23 -45.8 93.04 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.702 -0.624 . . . . 0.0 111.295 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.45 -36.88 62.08 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.491 -0.755 . . . . 0.0 112.294 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.63 72.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.379 0.672 . . . . 0.0 111.983 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -67.12 -41.11 86.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.483 1.113 . . . . 0.0 112.735 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.9 mmm -66.27 -26.99 67.6 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.755 -1.215 . . . . 0.0 112.721 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.15 -29.4 69.1 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.497 -0.752 . . . . 0.0 112.523 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -67.07 -44.63 79.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.312 0.96 . . . . 0.0 111.4 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -61.98 -35.63 79.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 172.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -69.79 -42.71 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.141 0.977 . . . . 0.0 112.998 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 t -82.85 -24.24 33.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.0 121.42 20.07 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.027 -1.046 . . . . 0.0 111.885 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.625 1.97 . . . . 0.0 112.561 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -63.88 -19.51 65.13 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -173.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 p -64.14 -28.69 69.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.217 1.007 . . . . 0.0 113.006 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.54 31.54 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.368 0.985 . . . . 0.0 112.77 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -73.79 -26.86 60.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -75.35 -18.08 60.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.18 0.992 . . . . 0.0 113.194 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.73 -131.46 3.97 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.128 1.823 . . . . 0.0 113.367 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -104.24 138.59 19.56 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.568 1.147 . . . . 0.0 111.729 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.35 -39.11 5.7 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.981 3.788 . . . . 0.0 113.953 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -108.75 90.69 3.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.113 0.965 . . . . 0.0 110.328 -173.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -97.9 121.81 40.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.7 2.4 . . . . 0.0 108.961 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 t -49.2 139.21 11.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.174 2.189 . . . . 0.0 113.195 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 p -76.99 -6.06 51.14 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.1 -40.57 2.59 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 p -128.07 -177.21 4.05 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.657 1.183 . . . . 0.0 113.788 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.79 8.25 15.3 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.953 1.301 . . . . 0.0 113.471 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.03 137.49 57.74 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.159 -0.963 . . . . 0.0 112.58 172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 154.24 37.76 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -146.47 159.81 42.92 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.996 1.318 . . . . 0.0 112.305 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -78.74 -10.36 59.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.861 1.665 . . . . 0.0 113.878 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.9 m -126.75 122.56 35.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.336 1.055 . . . . 0.0 112.813 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.77 -31.45 72.41 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -65.89 -31.35 72.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.274 1.43 . . . . 0.0 112.913 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -77.12 -40.9 44.07 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.154 0.982 . . . . 0.0 111.096 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.89 -46.49 89.16 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.451 -0.781 . . . . 0.0 111.071 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -37.38 56.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.988 0.915 . . . . 0.0 112.361 175.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.8 68.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.399 0.679 . . . . 0.0 112.138 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -64.69 -40.26 95.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.273 1.029 . . . . 0.0 112.713 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.16 -27.38 69.03 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.856 -1.153 . . . . 0.0 112.572 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -72.95 -11.88 60.74 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -80.6 -27.41 37.36 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.897 -1.127 . . . . 0.0 112.376 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -75.33 -9.8 58.89 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.229 1.012 . . . . 0.0 113.265 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -76.4 53.72 0.86 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.905 2.082 . . . . 0.0 113.39 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -151.2 177.02 10.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.121 1.768 . . . . 0.0 111.48 -173.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.48 157.11 34.49 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.208 1.403 . . . . 0.0 113.124 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mptt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.112 1.765 . . . . 0.0 111.492 178.153 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p 55.44 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 130.352 3.461 . . . . 0.0 119.687 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m 54.26 28.3 9.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.872 1.669 . . . . 0.0 113.818 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.36 61.53 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 125.318 1.437 . . . . 0.0 116.363 -173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -144.36 148.96 35.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.142 1.377 . . . . 0.0 111.998 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -155.17 172.25 18.46 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.248 1.819 . . . . 0.0 111.077 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.33 -36.14 0.08 OUTLIER Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.528 0.971 . . . . 0.0 115.528 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -101.05 143.24 26.2 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 124.683 1.193 . . . . 0.0 111.489 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.98 -37.29 5.03 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.995 3.13 . . . . 0.0 113.898 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.66 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.906 0.882 . . . . 0.0 111.106 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -86.64 126.67 34.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.378 2.271 . . . . 0.0 109.611 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.0 t -50.48 142.01 11.28 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.537 1.935 . . . . 0.0 112.326 170.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -76.35 -8.38 57.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.076 0.95 . . . . 0.0 113.184 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.74 -39.93 2.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.97 1.308 . . . . 0.0 113.218 -168.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -127.32 -177.56 4.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.719 1.207 . . . . 0.0 113.831 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.38 2.4 28.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -61.48 134.58 57.04 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.3 -0.875 . . . . 0.0 112.513 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.8 153.67 39.49 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -146.69 162.55 38.26 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.808 1.243 . . . . 0.0 112.235 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -79.95 -13.02 59.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.16 1.784 . . . . 0.0 114.151 174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -124.48 123.72 40.74 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.033 0.933 . . . . 0.0 112.524 -175.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.83 -36.68 77.32 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.179 0.992 . . . . 0.0 112.185 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 p -64.4 -27.79 69.25 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.491 1.517 . . . . 0.0 113.736 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.7 -41.66 23.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.992 0.917 . . . . 0.0 111.11 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.36 -46.53 88.38 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.459 -0.776 . . . . 0.0 111.425 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -48.7 -43.13 36.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.504 1.122 . . . . 0.0 112.105 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.97 75.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.14 0.976 . . . . 0.0 112.378 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -67.82 -42.48 81.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.411 1.085 . . . . 0.0 112.657 170.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 93.7 mmm -63.54 -28.33 69.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.712 -1.243 . . . . 0.0 112.902 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.07 -29.18 70.33 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.455 -0.778 . . . . 0.0 112.479 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -71.3 -29.76 65.43 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.377 1.071 . . . . 0.0 112.635 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -75.38 -31.05 60.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.238 0.615 . . . . 0.0 111.862 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -73.51 -36.08 65.68 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.48 1.112 . . . . 0.0 113.218 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 p -69.23 143.74 53.87 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.818 0.847 . . . . 0.0 112.974 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -78.89 159.27 27.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.199 1.0 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.217 1.807 . . . . 0.0 111.713 178.674 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -85.24 -12.69 51.93 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 p -75.81 158.92 31.57 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.367 1.467 . . . . 0.0 113.526 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.56 -173.02 45.44 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.037 1.304 . . . . 0.0 112.967 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -69.1 142.78 54.35 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.644 0.778 . . . . 0.0 112.205 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -77.94 -15.34 59.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 113.63 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.75 -118.72 15.41 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.109 0.861 . . . . 0.0 112.124 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 140.32 31.44 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.815 1.246 . . . . 0.0 110.881 171.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.35 -40.01 11.69 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 125.086 3.857 . . . . 0.0 115.029 -170.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.68 90.68 3.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.744 0.783 . . . . 0.0 110.5 -173.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -91.76 121.09 33.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.359 2.263 . . . . 0.0 109.625 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.59 142.96 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.814 2.046 . . . . 0.0 113.214 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m -77.88 -9.32 59.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.395 1.078 . . . . 0.0 113.313 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.62 -40.31 2.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.836 1.255 . . . . 0.0 113.117 -169.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.2 p -126.21 -177.96 4.15 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.713 1.205 . . . . 0.0 113.35 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.94 9.83 13.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.678 1.191 . . . . 0.0 113.88 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -63.9 136.34 57.29 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.399 0.679 . . . . 0.0 112.341 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.57 142.49 24.78 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -138.67 163.5 31.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.107 1.363 . . . . 0.0 112.38 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -90.29 0.84 57.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.787 2.035 . . . . 0.0 115.003 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -135.65 135.66 40.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.323 1.049 . . . . 0.0 112.307 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.88 -29.43 70.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.57 0.748 . . . . 0.0 112.471 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -71.17 -31.62 67.89 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.544 1.138 . . . . 0.0 112.682 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.14 -47.69 64.36 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.084 0.554 . . . . 0.0 110.368 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.8 -45.89 92.66 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.899 -0.5 . . . . 0.0 111.366 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -37.78 51.36 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.012 0.925 . . . . 0.0 112.403 175.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.65 65.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 111.995 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.12 -40.5 97.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.45 1.1 . . . . 0.0 112.514 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -63.95 -31.01 72.05 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.719 -1.238 . . . . 0.0 112.2 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -70.2 -17.68 63.16 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 172.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -75.96 -28.16 57.79 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.622 1.101 . . . . 0.0 112.464 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -73.21 -24.16 60.47 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 m -73.6 6.08 3.37 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -64.6 149.55 48.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.85 1.26 . . . . 0.0 113.134 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.09 145.98 52.97 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.589 0.756 . . . . 0.0 111.254 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mttm . . . . . 0 C--O 1.254 1.319 0 C-N-CA 124.827 1.251 . . . . 0.0 112.642 -169.339 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -136.81 156.2 48.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.342 1.457 . . . . 0.0 112.201 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -74.41 162.07 29.2 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.483 1.113 . . . . 0.0 112.76 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.2 -8.16 83.02 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 115.656 1.022 . . . . 0.0 115.656 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -84.05 46.44 1.2 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.727 1.611 . . . . 0.0 112.936 -175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -65.66 103.55 0.89 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.74 1.216 . . . . 0.0 112.897 -171.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.87 57.26 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.441 1.496 . . . . 0.0 116.691 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -131.76 138.94 33.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 119.175 1.487 . . . . 0.0 111.196 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.42 -36.86 3.61 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.232 2.622 . . . . 0.0 114.372 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -117.11 90.5 3.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.967 0.907 . . . . 0.0 110.392 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 14.3 tptm -94.58 125.97 39.57 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.498 2.319 . . . . 0.0 109.595 172.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -50.99 143.14 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.728 2.011 . . . . 0.0 112.524 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -79.09 -7.87 58.5 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.497 1.119 . . . . 0.0 113.326 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -122.17 -39.79 2.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.048 1.339 . . . . 0.0 113.076 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.5 -179.56 5.23 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 113.819 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -81.7 10.4 6.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.333 1.453 . . . . 0.0 113.662 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.95 133.57 51.15 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.198 -0.939 . . . . 0.0 112.05 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.94 152.92 38.33 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.423 0.63 . . . . 0.0 112.493 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -146.96 166.23 27.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.971 1.308 . . . . 0.0 112.012 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -90.71 -8.51 49.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.198 1.799 . . . . 0.0 115.037 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -130.85 136.05 48.29 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.765 1.226 . . . . 0.0 112.117 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.21 -32.69 73.38 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.469 0.707 . . . . 0.0 112.263 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -66.71 -28.04 68.12 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.663 1.185 . . . . 0.0 113.218 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -73.12 -47.23 45.95 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.527 0.603 . . . . 0.0 110.48 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.36 -45.99 90.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.758 -0.589 . . . . 0.0 111.418 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -46.2 -44.21 15.93 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.835 1.254 . . . . 0.0 112.28 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.97 74.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.195 0.998 . . . . 0.0 112.402 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -65.19 -40.76 94.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.28 1.032 . . . . 0.0 112.802 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.0 mmm -64.9 -26.69 68.42 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.613 -1.304 . . . . 0.0 112.783 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.98 -22.83 63.1 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.481 -0.762 . . . . 0.0 112.939 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.42 -34.9 68.18 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.539 1.063 . . . . 0.0 111.988 172.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -70.3 -27.26 64.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 112.28 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 m -85.26 -1.41 56.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 114.495 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -131.12 166.1 21.83 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.793 1.637 . . . . 0.0 112.402 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -129.44 157.33 42.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.307 1.443 . . . . 0.0 112.331 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.672 1.589 . . . . 0.0 112.807 -174.206 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -148.4 -59.97 0.24 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.477 1.111 . . . . 0.0 112.565 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m 54.02 23.0 3.74 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.394 1.478 . . . . 0.0 114.893 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.17 -12.29 71.88 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.675 1.131 . . . . 0.0 115.594 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -148.77 149.71 31.84 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.62 1.568 . . . . 0.0 111.45 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -80.63 -14.92 57.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.213 1.405 . . . . 0.0 113.383 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.51 -39.68 0.9 Allowed Glycine 0 CA--C 1.536 1.359 0 C-N-CA 126.1 1.809 . . . . 0.0 115.197 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -126.56 141.26 39.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.146 1.778 . . . . 0.0 111.194 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.37 -38.59 6.28 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 124.773 3.649 . . . . 0.0 114.266 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -111.7 90.48 3.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.782 0.833 . . . . 0.0 110.847 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -90.73 125.83 35.81 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.651 2.38 . . . . 0.0 110.017 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.57 143.58 15.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.783 2.033 . . . . 0.0 112.489 171.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 m -80.24 -8.48 59.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.608 1.163 . . . . 0.0 113.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.77 -39.91 2.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.994 1.318 . . . . 0.0 112.998 -169.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.61 -179.92 5.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.886 1.274 . . . . 0.0 113.004 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.51 9.42 11.34 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.475 1.11 . . . . 0.0 113.509 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.04 134.9 56.85 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.197 -0.94 . . . . 0.0 112.453 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.3 152.47 37.17 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -146.15 164.16 33.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.019 1.327 . . . . 0.0 112.301 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -90.31 -6.35 55.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.489 1.916 . . . . 0.0 114.964 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 m -130.38 130.56 44.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.331 1.053 . . . . 0.0 111.711 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.06 -32.67 72.31 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.773 0.829 . . . . 0.0 112.22 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -62.03 -35.15 77.71 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.745 1.618 . . . . 0.0 113.615 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.38 -46.28 67.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.484 0.714 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.58 -46.12 89.77 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.912 -0.493 . . . . 0.0 111.055 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -38.65 53.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.138 0.975 . . . . 0.0 112.117 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.65 -38.51 67.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.591 0.756 . . . . 0.0 112.144 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.18 -41.45 97.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.441 1.097 . . . . 0.0 112.587 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.18 -27.28 68.59 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.702 -1.249 . . . . 0.0 112.757 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -70.24 -21.04 63.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -75.28 -33.08 61.2 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.601 1.092 . . . . 0.0 112.281 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -71.85 -22.76 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -76.36 62.93 1.88 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.063 1.745 . . . . 0.0 112.684 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 t -150.56 -28.95 0.21 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.285 1.834 . . . . 0.0 112.463 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -84.36 -1.69 55.87 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.589 1.156 . . . . 0.0 113.643 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.538 2.335 . . . . 0.0 111.699 -178.538 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 53.09 35.75 20.47 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.931 1.292 . . . . 0.0 113.148 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -73.12 -20.86 60.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.344 1.457 . . . . 0.0 114.747 -169.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.15 -178.09 38.06 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.778 1.18 . . . . 0.0 114.517 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -128.13 -0.69 5.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.51 1.524 . . . . 0.0 114.685 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -86.08 169.13 13.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.996 1.318 . . . . 0.0 112.99 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.36 -175.22 54.96 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.323 1.44 . . . . 0.0 114.863 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -79.17 151.26 75.43 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.084 1.354 . . . . 0.0 112.226 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.78 -37.7 8.77 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.258 3.305 . . . . 0.0 114.025 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.9 90.72 3.41 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.126 0.97 . . . . 0.0 110.192 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.81 121.69 40.03 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.184 2.194 . . . . 0.0 108.726 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.25 132.44 19.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.843 2.057 . . . . 0.0 112.227 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -75.24 -1.89 25.49 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.227 -0.92 . . . . 0.0 113.451 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -121.09 -38.42 2.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.569 1.548 . . . . 0.0 112.498 -169.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -134.91 -174.21 3.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.116 1.366 . . . . 0.0 113.929 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -85.78 8.62 19.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.951 1.3 . . . . 0.0 113.712 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.12 139.59 58.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.244 -0.91 . . . . 0.0 112.572 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.27 154.59 38.17 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 t -145.78 160.84 41.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 112.315 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.34 -11.14 59.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.153 1.781 . . . . 0.0 113.941 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -127.29 124.37 38.6 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.146 0.978 . . . . 0.0 112.59 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.53 -35.29 72.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.221 1.008 . . . . 0.0 112.482 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 p -57.48 -33.36 67.91 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.834 1.654 . . . . 0.0 113.715 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -83.58 -38.82 21.14 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.238 1.015 . . . . 0.0 110.72 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.72 -45.48 89.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.927 0.785 . . . . 0.0 111.263 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -49.36 -43.6 44.13 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.235 1.014 . . . . 0.0 111.71 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.18 75.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.233 1.013 . . . . 0.0 112.264 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -68.15 -39.44 82.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.567 1.147 . . . . 0.0 112.559 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -32.0 73.43 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.751 1.22 . . . . 0.0 111.671 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.97 -31.44 72.63 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.488 -0.758 . . . . 0.0 112.474 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.48 -32.02 72.56 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.417 1.008 . . . . 0.0 112.537 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.1 -33.89 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.201 0.6 . . . . 0.0 112.216 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.6 t -76.47 -37.92 56.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.586 1.154 . . . . 0.0 113.999 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.8 p -71.02 150.09 45.97 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.223 -0.923 . . . . 0.0 113.292 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.89 6.8 47.33 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.31 1.444 . . . . 0.0 114.265 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.255 1.363 0 C-N-CA 126.09 1.756 . . . . 0.0 112.904 -176.384 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -91.41 -1.42 57.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.385 1.474 . . . . 0.0 114.783 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -76.98 27.44 0.14 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.218 1.807 . . . . 0.0 115.145 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.11 41.99 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.159 1.362 . . . . 0.0 113.453 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 p -77.1 56.32 1.25 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 113.003 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 61.18 167.21 0.09 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.851 2.06 . . . . 0.0 114.281 -169.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.92 157.46 50.33 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.196 0.903 . . . . 0.0 114.401 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -133.25 145.76 58.09 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 126.577 1.951 . . . . 0.0 109.842 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.0 -36.06 3.75 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.095 2.53 . . . . 0.0 113.924 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -118.19 90.4 3.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.167 0.984 . . . . 0.0 110.722 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 18.9 tptm -90.77 125.56 35.74 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.588 2.355 . . . . 0.0 109.359 171.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -51.14 137.66 21.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.42 1.888 . . . . 0.0 111.291 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 p -80.99 -2.93 49.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.062 0.945 . . . . 0.0 113.384 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -118.28 -38.02 3.25 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.262 -169.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -136.04 -176.1 4.2 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.416 1.486 . . . . 0.0 113.466 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 18.8 tt0 -84.7 8.52 16.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.991 1.316 . . . . 0.0 113.713 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.63 138.25 58.43 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.23 -0.919 . . . . 0.0 112.506 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.36 39.25 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -144.19 162.4 36.42 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.544 1.538 . . . . 0.0 111.68 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -85.0 -7.53 59.1 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.17 1.788 . . . . 0.0 113.772 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -129.03 121.52 28.08 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.371 1.068 . . . . 0.0 112.575 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.97 -35.23 74.53 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 m -66.69 -23.53 66.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.439 1.096 . . . . 0.0 113.093 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.2 -37.59 21.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.104 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.94 -45.7 91.21 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.395 -0.816 . . . . 0.0 111.332 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -48.47 -43.13 34.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.748 1.219 . . . . 0.0 111.882 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.03 77.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.984 0.914 . . . . 0.0 112.037 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -65.21 -38.0 89.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.369 1.068 . . . . 0.0 112.624 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.33 -26.02 67.1 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.736 1.215 . . . . 0.0 112.229 178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -73.92 -27.32 60.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.579 0.751 . . . . 0.0 112.815 171.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.83 -31.67 72.43 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.44 1.018 . . . . 0.0 112.229 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.25 -6.86 20.09 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.4 t -74.11 -6.6 48.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 169.24 18.13 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.767 1.627 . . . . 0.0 111.614 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 52.76 43.08 31.82 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.786 1.634 . . . . 0.0 112.936 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.994 2.118 . . . . 0.0 112.338 -173.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -83.8 -16.45 44.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m 57.28 17.95 3.99 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.039 1.736 . . . . 0.0 114.831 -169.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.92 155.7 48.31 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.561 1.077 . . . . 0.0 113.288 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -153.29 170.3 20.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.832 1.253 . . . . 0.0 112.584 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -81.27 6.94 12.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.733 1.213 . . . . 0.0 113.695 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.85 -151.64 46.24 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.433 1.015 . . . . 0.0 113.302 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.79 140.47 26.17 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.652 1.181 . . . . 0.0 112.984 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -75.13 -41.84 0.58 Allowed 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 124.817 3.678 . . . . 0.0 114.201 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -111.25 90.65 3.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.155 0.979 . . . . 0.0 110.218 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.2 121.59 38.15 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.368 2.267 . . . . 0.0 108.629 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.5 133.24 20.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.723 2.009 . . . . 0.0 112.349 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -75.32 -2.09 26.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.02 -38.42 2.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.483 1.513 . . . . 0.0 112.486 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.13 -174.35 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.086 1.355 . . . . 0.0 113.988 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.88 9.23 17.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.099 1.36 . . . . 0.0 113.639 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.24 139.38 58.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.253 -0.904 . . . . 0.0 112.291 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.85 35.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.113 0.565 . . . . 0.0 112.198 168.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 t -145.44 161.29 40.06 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.129 1.372 . . . . 0.0 112.29 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.86 -9.69 58.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.046 1.738 . . . . 0.0 114.31 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -131.73 130.29 41.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.344 1.057 . . . . 0.0 112.396 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.54 -28.63 70.0 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -63.27 -35.42 80.3 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.512 1.525 . . . . 0.0 113.093 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -70.44 -45.82 65.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.639 0.776 . . . . 0.0 110.681 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.97 -43.52 95.48 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.84 -0.537 . . . . 0.0 111.107 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -38.16 62.03 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 111.989 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -38.81 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.546 0.738 . . . . 0.0 111.936 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.15 -38.09 87.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.347 1.059 . . . . 0.0 112.472 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -27.72 68.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.779 1.231 . . . . 0.0 112.053 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.85 -27.2 62.73 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.595 -0.69 . . . . 0.0 112.786 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -67.57 -31.14 71.01 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 119.615 1.098 . . . . 0.0 112.283 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.03 -8.69 57.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -82.54 10.65 6.89 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 p -70.36 156.44 39.31 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.978 1.311 . . . . 0.0 112.79 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -145.46 163.56 34.3 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.112 1.365 . . . . 0.0 112.587 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.096 1.759 . . . . 0.0 112.1 -179.552 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -84.58 -14.24 49.38 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -66.96 153.3 43.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.025 1.33 . . . . 0.0 113.266 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 173.98 44.42 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.542 1.068 . . . . 0.0 113.544 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -68.79 151.84 46.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.716 1.206 . . . . 0.0 113.327 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -147.17 165.55 29.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.447 1.499 . . . . 0.0 112.551 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.91 170.45 43.41 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.026 1.298 . . . . 0.0 113.085 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 149.21 42.32 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 125.217 1.407 . . . . 0.0 112.294 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.06 -40.67 4.59 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 124.851 3.701 . . . . 0.0 114.561 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -108.43 91.13 3.52 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.958 0.885 . . . . 0.0 110.652 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -90.93 120.65 32.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.364 2.266 . . . . 0.0 109.339 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.2 136.54 19.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.696 1.998 . . . . 0.0 112.224 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.4 p -79.04 -4.18 48.86 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -117.93 -38.49 3.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.491 1.516 . . . . 0.0 112.226 -170.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.19 -174.55 3.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.218 1.407 . . . . 0.0 113.728 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.67 7.58 22.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.931 1.292 . . . . 0.0 113.871 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.09 138.45 58.56 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.742 0.817 . . . . 0.0 112.456 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 143.75 24.73 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -139.06 160.57 39.46 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.464 . . . . 0.0 112.597 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -79.64 -13.75 59.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.293 1.837 . . . . 0.0 114.131 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.0 t -118.38 128.13 54.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.303 1.041 . . . . 0.0 112.507 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -64.63 -36.58 84.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.965 0.906 . . . . 0.0 111.783 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.4 m -68.65 -30.95 69.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.552 1.141 . . . . 0.0 112.574 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.76 -42.41 64.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.189 0.596 . . . . 0.0 111.801 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.17 -44.49 95.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.988 0.813 . . . . 0.0 111.199 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.87 -37.21 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.822 0.849 . . . . 0.0 111.898 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.82 71.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.108 0.563 . . . . 0.0 111.811 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -64.89 -36.46 84.43 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.443 1.097 . . . . 0.0 112.585 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -31.93 73.29 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.743 -1.223 . . . . 0.0 111.209 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -73.68 -22.23 60.0 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 171.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -69.25 -39.79 78.24 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.891 1.223 . . . . 0.0 111.049 169.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -60.53 -31.32 70.41 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 172.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -69.42 -6.31 29.35 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.9 p -74.24 -16.19 60.96 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.831 1.196 . . . . 0.0 113.934 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.77 107.76 5.44 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.872 1.269 . . . . 0.0 110.462 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.413 1.885 . . . . 0.0 111.659 -175.143 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m 61.14 170.81 0.1 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.551 1.94 . . . . 0.0 115.121 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -145.97 153.88 41.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.269 1.428 . . . . 0.0 112.385 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.27 177.78 37.87 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.632 1.11 . . . . 0.0 114.487 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 m -141.14 149.94 42.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.493 1.517 . . . . 0.0 111.934 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 p -78.02 -27.41 48.88 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.629 1.172 . . . . 0.0 113.743 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.33 -50.62 2.05 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.235 1.874 . . . . 0.0 114.739 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -101.91 150.86 37.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.383 1.873 . . . . 0.0 111.111 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.83 -36.97 16.85 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.24 3.293 . . . . 0.0 114.431 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -112.87 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.006 0.922 . . . . 0.0 110.168 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -95.15 121.29 36.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.291 2.236 . . . . 0.0 108.86 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.09 132.98 19.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.948 2.099 . . . . 0.0 112.427 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -75.42 -2.53 29.09 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.39 -38.62 2.87 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.626 1.571 . . . . 0.0 112.535 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -134.59 -174.17 3.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 0.0 113.878 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -85.39 7.24 23.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.114 1.366 . . . . 0.0 113.565 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -64.45 139.13 58.73 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.211 -0.93 . . . . 0.0 112.356 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.86 33.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -145.55 163.34 35.07 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.838 1.255 . . . . 0.0 112.504 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -84.17 -7.83 59.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.396 1.878 . . . . 0.0 114.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 131.83 45.84 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.77 -38.74 86.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.677 1.191 . . . . 0.0 112.173 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.7 p -69.24 -24.65 64.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.858 0.863 . . . . 0.0 113.231 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.88 -41.51 29.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.256 0.623 . . . . 0.0 111.487 173.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.71 -45.3 94.77 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.223 -0.923 . . . . 0.0 111.625 170.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -50.05 -42.6 50.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.307 1.043 . . . . 0.0 111.86 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.67 -38.58 80.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.946 0.898 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -66.72 -38.02 85.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.362 1.065 . . . . 0.0 112.663 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -31.85 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.607 -1.308 . . . . 0.0 111.417 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -67.84 -24.22 65.25 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.38 -0.825 . . . . 0.0 113.152 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -71.66 -37.35 70.8 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.505 1.048 . . . . 0.0 111.861 172.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -67.28 -30.41 70.27 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -81.38 10.19 6.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.409 1.483 . . . . 0.0 114.64 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -140.66 165.19 28.16 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.022 1.329 . . . . 0.0 112.146 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.19 151.86 49.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.729 1.612 . . . . 0.0 111.953 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.221 1.808 . . . . 0.0 112.84 178.008 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -73.6 152.83 40.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.397 1.079 . . . . 0.0 113.06 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.463 1.505 . . . . 0.0 111.726 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.61 157.0 52.41 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.082 0.849 . . . . 0.0 113.605 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -72.18 -24.49 61.43 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -140.12 138.35 35.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.368 1.467 . . . . 0.0 111.755 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.81 164.83 53.32 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.686 1.136 . . . . 0.0 113.828 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -124.95 136.34 27.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.688 1.195 . . . . 0.0 111.716 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.23 -38.94 2.38 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.737 3.625 . . . . 0.0 113.847 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -111.87 90.95 3.48 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.385 1.074 . . . . 0.0 110.364 -172.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -96.91 122.19 39.62 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.341 2.256 . . . . 0.0 109.005 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 t -50.23 140.61 12.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.411 1.884 . . . . 0.0 112.715 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 m -76.72 -8.64 57.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.992 . . . . 0.0 113.268 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.89 -40.38 2.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.964 1.305 . . . . 0.0 113.195 -168.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 p -126.39 -177.65 4.06 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.654 1.181 . . . . 0.0 113.155 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -87.36 12.59 11.67 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.23 138.55 58.31 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.54 -0.725 . . . . 0.0 112.33 169.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 154.24 37.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -147.55 161.46 41.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 112.405 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -84.73 -9.36 58.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.325 1.85 . . . . 0.0 114.393 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 131.02 42.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.557 1.143 . . . . 0.0 112.25 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -62.41 -28.96 70.15 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -63.93 -34.78 78.74 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.566 1.546 . . . . 0.0 113.17 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -70.04 -45.7 66.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.482 0.713 . . . . 0.0 110.568 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -63.57 -45.8 88.79 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.775 -0.578 . . . . 0.0 111.067 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.94 -35.47 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.781 1.233 . . . . 0.0 112.34 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.51 61.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.554 0.742 . . . . 0.0 112.121 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -65.03 -41.92 94.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.482 1.113 . . . . 0.0 112.475 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.6 mmm -64.59 -26.96 68.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.803 -1.186 . . . . 0.0 112.676 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -68.73 -19.02 64.33 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 113.245 172.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.3 -33.11 61.16 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.379 0.991 . . . . 0.0 112.125 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -76.06 -21.98 56.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.923 0.889 . . . . 0.0 112.896 172.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.6 m -78.1 29.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.849 1.66 . . . . 0.0 114.647 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.2 p -80.72 -18.57 47.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.982 1.313 . . . . 0.0 113.513 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.08 159.72 19.48 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.991 1.316 . . . . 0.0 113.436 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.246 1.818 . . . . 0.0 111.789 -178.76 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -64.43 -17.21 63.58 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -76.12 -9.82 58.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.455 1.502 . . . . 0.0 114.304 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.89 -156.66 51.94 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.625 1.107 . . . . 0.0 114.234 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -145.09 166.21 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.628 1.571 . . . . 0.0 112.43 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -142.37 164.35 30.37 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.357 1.463 . . . . 0.0 112.721 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.1 179.85 46.12 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.093 1.33 . . . . 0.0 112.661 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -118.45 139.32 26.75 Favored Pre-proline 0 N--CA 1.476 0.862 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.94 -43.15 0.21 Allowed 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 125.189 3.926 . . . . 0.0 114.495 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -111.06 90.69 3.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.147 0.979 . . . . 0.0 110.707 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -93.84 122.6 36.49 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.294 2.238 . . . . 0.0 108.702 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.37 134.01 19.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.074 . . . . 0.0 112.683 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 m -72.51 -4.58 31.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.954 0.901 . . . . 0.0 113.341 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -122.43 -38.47 2.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.367 1.467 . . . . 0.0 112.834 -168.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 p -134.51 -174.21 3.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.32 . . . . 0.0 114.117 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -86.18 9.58 17.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.023 1.329 . . . . 0.0 113.731 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.92 140.39 58.86 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.25 -0.906 . . . . 0.0 112.282 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.25 152.86 35.21 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.323 0.582 . . . . 0.0 112.294 168.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -142.56 160.1 40.94 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.492 1.517 . . . . 0.0 112.175 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.21 -11.09 59.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.01 1.724 . . . . 0.0 113.876 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -129.65 124.1 32.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.103 0.961 . . . . 0.0 112.673 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.02 -28.8 69.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 p -65.79 -33.44 75.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.214 1.406 . . . . 0.0 113.098 173.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -74.23 -39.32 63.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.428 0.691 . . . . 0.0 111.425 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.05 -46.69 80.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.38 -43.75 34.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.323 1.049 . . . . 0.0 111.888 173.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.96 74.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.981 0.912 . . . . 0.0 112.502 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -66.94 -38.76 86.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.544 1.138 . . . . 0.0 112.335 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -33.84 75.76 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.903 -1.123 . . . . 0.0 111.292 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -68.19 -17.11 64.24 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -75.52 -27.43 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.489 1.041 . . . . 0.0 112.35 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -75.77 -24.35 56.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.435 0.694 . . . . 0.0 112.5 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 m -71.18 0.33 8.06 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.2 p -72.85 -12.47 60.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.825 1.25 . . . . 0.0 113.892 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -131.77 140.85 49.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.795 1.638 . . . . 0.0 111.087 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.057 1.743 . . . . 0.0 112.033 -176.276 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -66.61 -21.63 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.141 0.977 . . . . 0.0 113.195 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -135.44 173.21 11.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.884 2.074 . . . . 0.0 110.365 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.14 -177.88 43.07 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.309 1.433 . . . . 0.0 114.429 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -87.45 25.91 1.34 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.206 1.802 . . . . 0.0 115.09 -169.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -57.31 140.2 50.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.999 1.32 . . . . 0.0 113.477 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.18 158.27 53.26 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.994 1.283 . . . . 0.0 114.465 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -111.01 149.94 41.19 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 125.731 1.612 . . . . 0.0 111.483 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -69.76 -37.97 8.45 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.996 3.13 . . . . 0.0 114.708 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -114.52 90.72 3.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 122.024 0.916 . . . . 0.0 110.439 -175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.35 122.46 36.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.331 2.252 . . . . 0.0 108.938 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -49.72 134.68 20.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.065 2.146 . . . . 0.0 113.051 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 m -73.82 -4.69 36.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.183 0.993 . . . . 0.0 113.331 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -122.83 -38.28 2.64 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.256 1.422 . . . . 0.0 112.966 -168.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 p -133.71 -174.65 3.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.048 1.339 . . . . 0.0 113.956 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.6 8.01 21.04 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.12 1.368 . . . . 0.0 113.579 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 139.24 58.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.216 -0.927 . . . . 0.0 112.436 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.83 150.87 32.62 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -146.01 165.83 27.86 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.905 1.282 . . . . 0.0 112.244 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -88.4 -9.43 52.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.211 1.804 . . . . 0.0 115.483 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 t -132.12 138.21 48.0 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.641 1.177 . . . . 0.0 112.512 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.17 -31.53 71.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.754 0.821 . . . . 0.0 112.538 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -68.1 -31.06 70.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 112.694 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.83 -48.18 47.98 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.481 0.712 . . . . 0.0 110.419 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.76 -42.12 99.54 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.683 -0.636 . . . . 0.0 111.594 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -38.61 62.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.086 0.955 . . . . 0.0 111.946 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.33 67.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.29 0.636 . . . . 0.0 111.811 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -65.43 -37.04 85.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.333 1.053 . . . . 0.0 112.448 174.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.03 -31.13 71.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.685 1.194 . . . . 0.0 111.445 174.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -70.27 -26.5 63.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.272 -0.892 . . . . 0.0 112.944 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtp-105 -67.61 -42.37 82.51 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.586 1.084 . . . . 0.0 111.619 170.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.79 -31.56 72.56 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 171.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -82.14 5.02 21.01 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -47.13 137.98 7.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.832 1.653 . . . . 0.0 113.569 176.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -80.79 156.89 25.96 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.947 1.699 . . . . 0.0 111.879 -173.075 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -68.97 148.75 49.69 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.432 1.093 . . . . 0.0 113.094 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -88.47 -7.66 56.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.292 1.437 . . . . 0.0 114.772 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.4 172.83 44.4 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.951 1.262 . . . . 0.0 115.007 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -144.5 172.2 13.29 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.768 1.627 . . . . 0.0 111.474 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -75.55 31.5 0.11 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.661 1.985 . . . . 0.0 115.035 -171.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.17 3.3 69.23 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.494 1.521 . . . . 0.0 115.958 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -138.63 150.17 65.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.838 1.655 . . . . 0.0 112.002 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.66 -39.14 5.04 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.849 3.699 . . . . 0.0 114.151 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -110.39 90.4 3.31 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.84 0.856 . . . . 0.0 111.127 -172.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -89.67 126.15 35.53 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.769 2.428 . . . . 0.0 110.288 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.97 146.85 10.23 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.219 2.208 . . . . 0.0 113.013 171.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -83.8 -8.33 59.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.273 . . . . 0.0 113.353 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.14 -39.22 2.71 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.067 1.347 . . . . 0.0 112.834 -169.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -130.45 -179.37 5.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.269 1.427 . . . . 0.0 113.076 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.74 9.69 11.21 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.542 1.137 . . . . 0.0 113.545 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.89 135.78 57.5 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.14 -0.975 . . . . 0.0 112.319 172.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.51 150.34 33.23 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -143.73 161.29 38.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.861 1.264 . . . . 0.0 112.384 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -87.15 -3.07 59.04 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.51 1.924 . . . . 0.0 114.495 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -131.17 129.79 42.19 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.932 0.893 . . . . 0.0 112.941 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.51 -35.63 80.0 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 112.36 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -69.09 -25.28 64.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.905 0.882 . . . . 0.0 113.214 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -77.7 -41.87 36.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.374 0.67 . . . . 0.0 111.199 173.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.78 -48.15 82.82 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.468 -0.77 . . . . 0.0 111.491 170.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -48.46 -41.91 30.99 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.531 1.132 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.15 74.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.841 0.856 . . . . 0.0 111.573 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -59.09 -37.43 77.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.322 1.049 . . . . 0.0 113.205 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 90.5 mmm -67.69 -23.94 65.35 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.757 -1.215 . . . . 0.0 112.739 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.52 -32.68 54.22 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.645 0.778 . . . . 0.0 112.099 169.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -64.86 -21.93 66.89 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.1 0.96 . . . . 0.0 113.17 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -75.03 -20.38 59.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 169.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -97.95 -31.43 12.18 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.218 1.407 . . . . 0.0 113.449 -174.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 p -68.7 149.85 48.6 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.111 0.964 . . . . 0.0 113.551 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.86 134.9 36.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.11 0.964 . . . . 0.0 111.029 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.888 1.675 . . . . 0.0 111.968 -169.943 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -77.23 -31.72 55.32 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 60.64 -32.29 0.07 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 129.091 2.956 . . . . 0.0 117.131 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.17 -15.7 73.82 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.162 1.363 . . . . 0.0 115.174 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -70.4 136.53 49.67 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.587 1.194 . . . . 0.0 112.489 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -76.04 -31.71 58.97 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.791 0.836 . . . . 0.0 112.532 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 -179.58 47.91 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.362 1.458 . . . . 0.0 112.97 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -126.31 152.42 73.79 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.974 1.71 . . . . 0.0 111.436 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.53 -38.36 4.58 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.106 3.204 . . . . 0.0 114.12 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.88 90.6 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.099 0.952 . . . . 0.0 110.914 -174.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -88.84 124.91 34.64 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.517 2.327 . . . . 0.0 109.85 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -51.72 134.94 30.01 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.24 1.816 . . . . 0.0 110.906 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 p -79.87 -2.87 45.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.045 0.938 . . . . 0.0 113.224 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.0 mt -118.37 -38.49 3.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.56 1.544 . . . . 0.0 112.244 -169.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.16 -175.96 4.03 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.252 1.421 . . . . 0.0 113.194 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.27 5.91 24.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.589 1.155 . . . . 0.0 113.651 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.75 136.67 57.98 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.156 -0.965 . . . . 0.0 112.619 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.71 147.85 27.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -142.01 163.68 32.22 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.458 1.503 . . . . 0.0 112.561 -172.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -83.56 -10.51 58.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.424 1.889 . . . . 0.0 114.21 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -120.09 127.15 52.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.401 1.08 . . . . 0.0 112.848 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -62.58 -33.88 75.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.445 0.698 . . . . 0.0 112.635 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -75.05 -23.83 58.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.55 -41.54 46.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.886 0.766 . . . . 0.0 111.373 171.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.24 -46.57 89.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.132 -0.98 . . . . 0.0 112.017 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -49.02 -42.62 38.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.761 1.224 . . . . 0.0 112.113 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.47 -38.06 77.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.997 0.919 . . . . 0.0 112.165 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -67.0 -38.69 86.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.596 1.159 . . . . 0.0 112.529 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -31.59 72.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.727 -1.233 . . . . 0.0 111.637 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.91 -22.27 65.08 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 172.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -73.43 -30.81 63.47 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.463 1.028 . . . . 0.0 112.361 172.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -75.8 -21.92 56.88 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.51 -7.64 59.63 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -171.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.1 p -76.55 154.66 34.33 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.126 0.97 . . . . 0.0 112.597 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -148.03 151.76 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.975 1.31 . . . . 0.0 111.274 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.89 1.676 . . . . 0.0 111.965 -179.044 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -68.45 143.88 54.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.257 1.023 . . . . 0.0 112.803 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -83.02 153.02 25.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.695 1.198 . . . . 0.0 112.954 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.82 -172.47 36.33 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.454 1.025 . . . . 0.0 114.659 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m 53.04 35.16 18.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.756 1.622 . . . . 0.0 114.834 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -61.16 137.77 58.23 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.012 1.325 . . . . 0.0 112.793 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.95 78.87 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.017 0.818 . . . . 0.0 114.974 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.4 150.67 73.06 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 126.283 1.833 . . . . 0.0 111.446 -170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -67.94 -38.97 11.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.291 3.327 . . . . 0.0 114.966 -169.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -108.13 90.22 3.23 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.903 0.858 . . . . 0.0 110.477 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -86.62 123.09 31.42 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.386 2.274 . . . . 0.0 109.925 173.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.06 134.78 38.18 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.643 169.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 p -79.54 -3.96 49.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.099 0.96 . . . . 0.0 113.16 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 mt -116.52 -38.44 3.51 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.579 1.552 . . . . 0.0 111.978 -169.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -134.35 -174.31 3.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.127 1.371 . . . . 0.0 113.419 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.63 7.99 24.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.601 1.16 . . . . 0.0 114.093 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -63.53 137.04 57.97 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.525 0.73 . . . . 0.0 112.441 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.26 34.18 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -143.55 164.39 30.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.81 1.244 . . . . 0.0 112.417 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -85.38 -9.92 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.453 1.901 . . . . 0.0 114.319 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -129.04 125.42 37.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.313 1.045 . . . . 0.0 112.164 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.57 -31.93 72.0 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -67.19 -27.19 67.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.674 1.59 . . . . 0.0 113.358 173.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -81.4 -40.32 23.61 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.922 0.889 . . . . 0.0 111.098 174.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.51 -45.86 92.25 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.293 -0.879 . . . . 0.0 111.528 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -48.56 -44.22 36.4 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.198 0.999 . . . . 0.0 111.847 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.14 70.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.26 1.024 . . . . 0.0 112.971 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -72.32 -39.72 68.0 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.434 1.094 . . . . 0.0 112.36 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -31.68 72.85 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.49 1.116 . . . . 0.0 111.638 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -62.64 -27.29 69.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.047 0.939 . . . . 0.0 113.142 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -72.95 -26.22 61.3 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.477 1.111 . . . . 0.0 112.696 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.05 -10.56 59.51 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.076 0.95 . . . . 0.0 113.264 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -86.95 6.3 32.81 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.034 1.334 . . . . 0.0 114.209 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -72.29 157.85 36.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.826 1.251 . . . . 0.0 112.948 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.42 51.15 1.92 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.961 1.305 . . . . 0.0 112.108 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.425 1.89 . . . . 0.0 112.265 -174.698 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -66.78 150.86 48.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.556 1.142 . . . . 0.0 112.988 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -75.96 -18.58 59.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.31 -175.68 47.54 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.381 1.467 . . . . 0.0 113.247 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -73.16 153.5 40.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.253 1.021 . . . . 0.0 112.226 174.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -70.62 -24.93 62.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.173 0.989 . . . . 0.0 112.993 170.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.3 -139.16 46.9 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.987 1.28 . . . . 0.0 114.421 172.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.04 146.08 59.94 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 125.469 1.508 . . . . 0.0 112.247 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.53 -38.74 5.75 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.905 3.736 . . . . 0.0 114.052 -173.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.96 90.46 3.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.018 0.927 . . . . 0.0 110.477 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.76 126.77 34.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.574 1.949 . . . . 0.0 109.414 170.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.24 138.11 26.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.008 1.723 . . . . 0.0 111.995 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -76.9 -4.82 45.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.099 0.96 . . . . 0.0 113.028 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 mt -121.76 -37.82 2.82 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.381 1.472 . . . . 0.0 112.448 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -136.51 -173.34 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.06 -7.04 55.01 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.148 1.779 . . . . 0.0 113.728 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.79 135.7 57.77 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.389 0.676 . . . . 0.0 112.574 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.83 150.95 35.14 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 170.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -144.18 162.3 36.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.978 1.311 . . . . 0.0 112.097 -174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -88.73 -7.24 56.63 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.08 1.752 . . . . 0.0 114.326 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -131.88 130.47 41.69 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.619 1.168 . . . . 0.0 111.902 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.83 -28.92 69.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -63.61 -35.12 79.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.584 1.553 . . . . 0.0 113.266 174.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.34 -46.55 66.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.559 0.744 . . . . 0.0 110.643 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.32 -43.94 93.12 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.809 -0.557 . . . . 0.0 111.441 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -52.78 -37.68 59.99 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.734 0.814 . . . . 0.0 112.079 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -42.09 63.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.203 0.601 . . . . 0.0 111.516 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.33 -35.69 81.21 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.155 0.982 . . . . 0.0 112.412 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -22.56 65.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.831 1.252 . . . . 0.0 112.183 174.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -83.49 -33.93 25.45 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.944 0.898 . . . . 0.0 112.261 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.51 -25.53 66.17 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 119.49 1.041 . . . . 0.0 113.169 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -65.26 -17.65 64.67 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 173.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -81.75 125.53 30.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.202 0.91 . . . . 0.0 110.869 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 p -140.82 162.27 35.84 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.238 1.415 . . . . 0.0 112.555 -172.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -128.66 151.78 49.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.599 1.56 . . . . 0.0 111.328 175.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 pttt . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.773 1.629 . . . . 0.0 112.879 -179.217 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -138.36 148.15 44.24 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.006 1.322 . . . . 0.0 112.216 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -74.62 -5.5 43.34 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.4 -12.69 77.05 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.655 1.121 . . . . 0.0 115.471 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -74.12 136.39 42.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.908 1.354 . . . . 0.0 112.166 176.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -83.75 10.98 8.14 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.069 1.348 . . . . 0.0 113.187 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.6 -179.93 36.36 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.945 1.259 . . . . 0.0 112.975 -169.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.65 133.99 17.05 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.177 0.991 . . . . 0.0 111.481 172.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HD2' ' A' ' 20' ' ' ARG . 92.8 Cg_endo -75.51 -39.61 1.01 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.555 3.503 . . . . 0.0 113.801 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -111.21 90.47 3.34 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.198 0.999 . . . . 0.0 110.165 -173.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.42 122.12 36.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.436 2.295 . . . . 0.0 108.645 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -49.23 131.86 19.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.878 2.071 . . . . 0.0 112.38 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 m -71.6 -3.87 23.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.849 0.859 . . . . 0.0 113.255 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -122.62 -38.82 2.6 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.495 1.518 . . . . 0.0 112.838 -168.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.48 3.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.846 1.258 . . . . 0.0 114.061 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -84.69 6.74 23.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.169 1.388 . . . . 0.0 113.624 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.78 139.32 58.75 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.239 -0.913 . . . . 0.0 112.472 172.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 153.69 36.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 160.14 42.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.123 1.369 . . . . 0.0 112.232 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HD2' ' HD2' ' A' ' 9' ' ' PRO . 16.5 mmm180 -80.91 -9.29 59.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.002 1.721 . . . . 0.0 114.017 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.8 m -127.91 124.82 38.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.318 1.047 . . . . 0.0 112.785 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.66 -40.88 89.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.251 1.021 . . . . 0.0 112.455 -176.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -64.95 -23.28 67.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.43 1.092 . . . . 0.0 113.546 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -81.99 -40.29 22.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.523 0.729 . . . . 0.0 111.339 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.23 -45.82 92.95 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.288 -0.882 . . . . 0.0 111.518 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -48.17 -44.04 32.12 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.809 1.244 . . . . 0.0 111.96 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -34.45 72.01 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 112.71 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.35 -39.16 74.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.459 1.104 . . . . 0.0 112.42 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -35.39 78.08 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.961 -1.087 . . . . 0.0 111.217 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -63.23 -23.62 67.51 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -72.87 -24.93 60.93 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.203 1.001 . . . . 0.0 112.529 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -80.51 -28.84 37.33 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.349 0.66 . . . . 0.0 111.695 169.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -70.66 -34.26 71.83 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.406 1.082 . . . . 0.0 113.31 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 p -80.28 155.59 27.21 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.117 0.967 . . . . 0.0 112.646 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -136.1 156.91 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.306 1.442 . . . . 0.0 111.857 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.263 1.825 . . . . 0.0 111.627 178.543 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -62.65 -22.07 66.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -82.25 2.56 31.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.278 1.431 . . . . 0.0 114.271 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.31 162.38 36.69 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.772 1.177 . . . . 0.0 114.895 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 p -84.7 0.62 49.81 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -172.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -63.17 144.29 57.05 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.255 1.022 . . . . 0.0 112.839 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.03 151.81 21.33 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.098 1.332 . . . . 0.0 112.393 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -119.53 139.57 28.03 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 -172.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.62 -39.47 3.53 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.994 3.796 . . . . 0.0 114.099 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -108.92 90.76 3.39 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.06 0.944 . . . . 0.0 110.684 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -86.44 124.28 32.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.277 2.231 . . . . 0.0 109.966 172.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -52.9 135.62 35.95 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.754 1.622 . . . . 0.0 111.507 170.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -78.01 -5.19 50.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.55 1.14 . . . . 0.0 113.172 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.62 -38.2 3.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.404 1.482 . . . . 0.0 112.332 -169.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.47 3.54 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.189 1.395 . . . . 0.0 113.523 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 8.2 24.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.748 1.219 . . . . 0.0 114.019 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.54 138.02 58.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.524 0.73 . . . . 0.0 112.464 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.49 153.56 38.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 169.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -146.51 160.6 41.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 112.523 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.94 -10.49 57.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.286 1.834 . . . . 0.0 114.538 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -132.48 130.54 40.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.431 1.092 . . . . 0.0 112.071 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.15 -31.04 70.77 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -66.44 -26.91 67.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.507 1.123 . . . . 0.0 113.439 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -73.27 -46.24 51.04 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.576 0.626 . . . . 0.0 110.299 173.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.22 -44.66 91.2 Favored 'General case' 0 C--N 1.343 0.283 0 O-C-N 121.712 -0.618 . . . . 0.0 111.41 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -47.58 -44.0 25.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.422 1.089 . . . . 0.0 112.101 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.5 73.35 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.92 0.888 . . . . 0.0 112.2 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.47 -36.9 85.68 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.427 1.091 . . . . 0.0 112.582 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -30.0 70.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.7 -1.25 . . . . 0.0 111.606 174.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.13 -29.37 64.0 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.311 -0.868 . . . . 0.0 112.561 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -64.88 -41.42 95.65 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.445 1.02 . . . . 0.0 111.296 169.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -63.26 -38.1 89.84 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -60.53 -30.41 69.73 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.46 1.104 . . . . 0.0 113.51 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.263 14.8 t -81.71 39.7 0.56 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.458 1.103 . . . . 0.0 112.963 170.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 55.86 56.62 5.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.872 2.469 . . . . 0.0 114.399 174.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.636 1.574 . . . . 0.0 112.55 177.195 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo . . . . . 0 CA--C 1.537 0.671 0 N-CA-C 114.236 0.821 . . . . 0.0 114.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -112.29 90.73 3.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.035 0.934 . . . . 0.0 110.312 -173.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.05 121.93 40.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.508 2.323 . . . . 0.0 108.901 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.05 139.03 11.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.149 2.18 . . . . 0.0 113.134 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 p -77.34 -5.44 49.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 mt -121.52 -40.32 2.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.078 1.351 . . . . 0.0 112.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.12 -176.88 4.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.769 1.228 . . . . 0.0 113.874 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -83.84 8.24 15.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.031 1.332 . . . . 0.0 113.423 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -64.9 136.84 57.3 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.241 -0.912 . . . . 0.0 112.337 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.41 151.95 34.89 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -144.77 163.55 33.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.231 1.412 . . . . 0.0 112.245 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -87.7 -3.29 58.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.591 1.956 . . . . 0.0 114.083 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -134.84 134.94 41.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.313 0.961 . . . . 0.0 113.417 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -66.0 -31.32 72.16 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.201 1.0 . . . . 0.0 113.651 -176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.6 p -70.05 -30.16 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.76 0.824 . . . . 0.0 112.436 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -73.63 -42.45 61.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.999 0.92 . . . . 0.0 110.952 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.23 -45.8 93.04 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.702 -0.624 . . . . 0.0 111.295 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.45 -36.88 62.08 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.491 -0.755 . . . . 0.0 112.294 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.63 72.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.379 0.672 . . . . 0.0 111.983 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -67.12 -41.11 86.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.483 1.113 . . . . 0.0 112.735 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.9 mmm -66.27 -26.99 67.6 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.755 -1.215 . . . . 0.0 112.721 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 . . . . . 0 CA--C 1.543 0.705 0 O-C-N 121.497 -0.752 . . . . 0.0 112.523 171.705 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 CA--C 1.537 0.673 0 N-CA-C 113.953 0.713 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -108.75 90.69 3.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.113 0.965 . . . . 0.0 110.328 -173.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -97.9 121.81 40.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.7 2.4 . . . . 0.0 108.961 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 t -49.2 139.21 11.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.174 2.189 . . . . 0.0 113.195 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 p -76.99 -6.06 51.14 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.1 -40.57 2.59 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 p -128.07 -177.21 4.05 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.657 1.183 . . . . 0.0 113.788 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.79 8.25 15.3 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.953 1.301 . . . . 0.0 113.471 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.03 137.49 57.74 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.159 -0.963 . . . . 0.0 112.58 172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 154.24 37.76 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -146.47 159.81 42.92 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.996 1.318 . . . . 0.0 112.305 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -78.74 -10.36 59.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.861 1.665 . . . . 0.0 113.878 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.9 m -126.75 122.56 35.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.336 1.055 . . . . 0.0 112.813 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.77 -31.45 72.41 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -65.89 -31.35 72.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.274 1.43 . . . . 0.0 112.913 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -77.12 -40.9 44.07 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.154 0.982 . . . . 0.0 111.096 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.89 -46.49 89.16 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.451 -0.781 . . . . 0.0 111.071 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -37.38 56.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.988 0.915 . . . . 0.0 112.361 175.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.8 68.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.399 0.679 . . . . 0.0 112.138 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -64.69 -40.26 95.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.273 1.029 . . . . 0.0 112.713 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.16 -27.38 69.03 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.856 -1.153 . . . . 0.0 112.572 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 . . . . . 0 CA--C 1.548 0.879 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 171.665 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo . . . . . 0 CA--C 1.538 0.681 0 N-CA-C 113.898 0.692 . . . . 0.0 113.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.66 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.906 0.882 . . . . 0.0 111.106 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -86.64 126.67 34.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.378 2.271 . . . . 0.0 109.611 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.0 t -50.48 142.01 11.28 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.537 1.935 . . . . 0.0 112.326 170.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -76.35 -8.38 57.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.076 0.95 . . . . 0.0 113.184 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.74 -39.93 2.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.97 1.308 . . . . 0.0 113.218 -168.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -127.32 -177.56 4.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.719 1.207 . . . . 0.0 113.831 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.38 2.4 28.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -61.48 134.58 57.04 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.3 -0.875 . . . . 0.0 112.513 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.8 153.67 39.49 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -146.69 162.55 38.26 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.808 1.243 . . . . 0.0 112.235 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -79.95 -13.02 59.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.16 1.784 . . . . 0.0 114.151 174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -124.48 123.72 40.74 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.033 0.933 . . . . 0.0 112.524 -175.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.83 -36.68 77.32 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.179 0.992 . . . . 0.0 112.185 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 p -64.4 -27.79 69.25 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.491 1.517 . . . . 0.0 113.736 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.7 -41.66 23.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.992 0.917 . . . . 0.0 111.11 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.36 -46.53 88.38 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.459 -0.776 . . . . 0.0 111.425 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -48.7 -43.13 36.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.504 1.122 . . . . 0.0 112.105 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.97 75.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.14 0.976 . . . . 0.0 112.378 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -67.82 -42.48 81.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.411 1.085 . . . . 0.0 112.657 170.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 93.7 mmm -63.54 -28.33 69.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.712 -1.243 . . . . 0.0 112.902 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 . . . . . 0 CA--C 1.546 0.815 0 O-C-N 121.455 -0.778 . . . . 0.0 112.479 171.772 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 115.029 1.127 . . . . 0.0 115.029 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.68 90.68 3.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.744 0.783 . . . . 0.0 110.5 -173.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -91.76 121.09 33.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.359 2.263 . . . . 0.0 109.625 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.59 142.96 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.814 2.046 . . . . 0.0 113.214 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m -77.88 -9.32 59.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.395 1.078 . . . . 0.0 113.313 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.62 -40.31 2.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.836 1.255 . . . . 0.0 113.117 -169.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.2 p -126.21 -177.96 4.15 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.713 1.205 . . . . 0.0 113.35 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.94 9.83 13.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.678 1.191 . . . . 0.0 113.88 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -63.9 136.34 57.29 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.399 0.679 . . . . 0.0 112.341 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.57 142.49 24.78 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -138.67 163.5 31.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.107 1.363 . . . . 0.0 112.38 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -90.29 0.84 57.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.787 2.035 . . . . 0.0 115.003 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -135.65 135.66 40.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.323 1.049 . . . . 0.0 112.307 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.88 -29.43 70.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.57 0.748 . . . . 0.0 112.471 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -71.17 -31.62 67.89 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.544 1.138 . . . . 0.0 112.682 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.14 -47.69 64.36 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.084 0.554 . . . . 0.0 110.368 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.8 -45.89 92.66 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.899 -0.5 . . . . 0.0 111.366 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -37.78 51.36 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.012 0.925 . . . . 0.0 112.403 175.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.65 65.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 111.995 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.12 -40.5 97.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.45 1.1 . . . . 0.0 112.514 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -63.95 -31.01 72.05 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.719 -1.238 . . . . 0.0 112.2 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 . . . . . 0 CA--C 1.548 0.871 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 172.392 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo . . . . . 0 CA--C 1.54 0.82 0 N-CA-C 114.372 0.874 . . . . 0.0 114.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -117.11 90.5 3.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.967 0.907 . . . . 0.0 110.392 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 14.3 tptm -94.58 125.97 39.57 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.498 2.319 . . . . 0.0 109.595 172.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -50.99 143.14 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.728 2.011 . . . . 0.0 112.524 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -79.09 -7.87 58.5 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.497 1.119 . . . . 0.0 113.326 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -122.17 -39.79 2.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.048 1.339 . . . . 0.0 113.076 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.5 -179.56 5.23 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 113.819 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -81.7 10.4 6.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.333 1.453 . . . . 0.0 113.662 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.95 133.57 51.15 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.198 -0.939 . . . . 0.0 112.05 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.94 152.92 38.33 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.423 0.63 . . . . 0.0 112.493 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -146.96 166.23 27.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.971 1.308 . . . . 0.0 112.012 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -90.71 -8.51 49.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.198 1.799 . . . . 0.0 115.037 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -130.85 136.05 48.29 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.765 1.226 . . . . 0.0 112.117 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.21 -32.69 73.38 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.469 0.707 . . . . 0.0 112.263 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -66.71 -28.04 68.12 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.663 1.185 . . . . 0.0 113.218 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -73.12 -47.23 45.95 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.527 0.603 . . . . 0.0 110.48 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.36 -45.99 90.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.758 -0.589 . . . . 0.0 111.418 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -46.2 -44.21 15.93 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.835 1.254 . . . . 0.0 112.28 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.97 74.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.195 0.998 . . . . 0.0 112.402 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -65.19 -40.76 94.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.28 1.032 . . . . 0.0 112.802 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.0 mmm -64.9 -26.69 68.42 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.613 -1.304 . . . . 0.0 112.783 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 . . . . . 0 CA--C 1.547 0.851 0 O-C-N 121.481 -0.762 . . . . 0.0 112.939 171.193 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 CA--C 1.539 0.734 0 N-CA-C 114.266 0.833 . . . . 0.0 114.266 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -111.7 90.48 3.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.782 0.833 . . . . 0.0 110.847 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -90.73 125.83 35.81 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.651 2.38 . . . . 0.0 110.017 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.57 143.58 15.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.783 2.033 . . . . 0.0 112.489 171.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 m -80.24 -8.48 59.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.608 1.163 . . . . 0.0 113.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.77 -39.91 2.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.994 1.318 . . . . 0.0 112.998 -169.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.61 -179.92 5.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.886 1.274 . . . . 0.0 113.004 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.51 9.42 11.34 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.475 1.11 . . . . 0.0 113.509 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.04 134.9 56.85 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.197 -0.94 . . . . 0.0 112.453 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.3 152.47 37.17 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -146.15 164.16 33.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.019 1.327 . . . . 0.0 112.301 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -90.31 -6.35 55.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.489 1.916 . . . . 0.0 114.964 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 m -130.38 130.56 44.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.331 1.053 . . . . 0.0 111.711 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.06 -32.67 72.31 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.773 0.829 . . . . 0.0 112.22 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -62.03 -35.15 77.71 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.745 1.618 . . . . 0.0 113.615 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.38 -46.28 67.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.484 0.714 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.58 -46.12 89.77 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.912 -0.493 . . . . 0.0 111.055 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -38.65 53.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.138 0.975 . . . . 0.0 112.117 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.65 -38.51 67.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.591 0.756 . . . . 0.0 112.144 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.18 -41.45 97.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.441 1.097 . . . . 0.0 112.587 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.18 -27.28 68.59 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.702 -1.249 . . . . 0.0 112.757 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 171.157 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo . . . . . 0 CA--C 1.538 0.678 0 N-CA-C 114.025 0.741 . . . . 0.0 114.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.9 90.72 3.41 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.126 0.97 . . . . 0.0 110.192 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.81 121.69 40.03 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.184 2.194 . . . . 0.0 108.726 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.25 132.44 19.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.843 2.057 . . . . 0.0 112.227 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -75.24 -1.89 25.49 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.227 -0.92 . . . . 0.0 113.451 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -121.09 -38.42 2.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.569 1.548 . . . . 0.0 112.498 -169.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -134.91 -174.21 3.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.116 1.366 . . . . 0.0 113.929 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -85.78 8.62 19.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.951 1.3 . . . . 0.0 113.712 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.12 139.59 58.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.244 -0.91 . . . . 0.0 112.572 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.27 154.59 38.17 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 t -145.78 160.84 41.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 112.315 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.34 -11.14 59.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.153 1.781 . . . . 0.0 113.941 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -127.29 124.37 38.6 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.146 0.978 . . . . 0.0 112.59 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.53 -35.29 72.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.221 1.008 . . . . 0.0 112.482 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 p -57.48 -33.36 67.91 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.834 1.654 . . . . 0.0 113.715 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -83.58 -38.82 21.14 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.238 1.015 . . . . 0.0 110.72 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.72 -45.48 89.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.927 0.785 . . . . 0.0 111.263 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -49.36 -43.6 44.13 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.235 1.014 . . . . 0.0 111.71 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.18 75.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.233 1.013 . . . . 0.0 112.264 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -68.15 -39.44 82.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.567 1.147 . . . . 0.0 112.559 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -32.0 73.43 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.751 1.22 . . . . 0.0 111.671 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 . . . . . 0 CA--C 1.544 0.734 0 O-C-N 121.488 -0.758 . . . . 0.0 112.474 172.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 CA--C 1.538 0.685 0 N-CA-C 113.924 0.701 . . . . 0.0 113.924 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -118.19 90.4 3.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.167 0.984 . . . . 0.0 110.722 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 18.9 tptm -90.77 125.56 35.74 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.588 2.355 . . . . 0.0 109.359 171.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -51.14 137.66 21.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.42 1.888 . . . . 0.0 111.291 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 p -80.99 -2.93 49.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.062 0.945 . . . . 0.0 113.384 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -118.28 -38.02 3.25 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.262 -169.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -136.04 -176.1 4.2 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.416 1.486 . . . . 0.0 113.466 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 18.8 tt0 -84.7 8.52 16.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.991 1.316 . . . . 0.0 113.713 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.63 138.25 58.43 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.23 -0.919 . . . . 0.0 112.506 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.36 39.25 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -144.19 162.4 36.42 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.544 1.538 . . . . 0.0 111.68 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -85.0 -7.53 59.1 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.17 1.788 . . . . 0.0 113.772 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -129.03 121.52 28.08 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.371 1.068 . . . . 0.0 112.575 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.97 -35.23 74.53 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 m -66.69 -23.53 66.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.439 1.096 . . . . 0.0 113.093 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.2 -37.59 21.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.104 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.94 -45.7 91.21 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.395 -0.816 . . . . 0.0 111.332 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -48.47 -43.13 34.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.748 1.219 . . . . 0.0 111.882 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.03 77.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.984 0.914 . . . . 0.0 112.037 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -65.21 -38.0 89.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.369 1.068 . . . . 0.0 112.624 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.33 -26.02 67.1 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.736 1.215 . . . . 0.0 112.229 178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 123.579 0.751 . . . . 0.0 112.815 171.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo . . . . . 0 CA--C 1.538 0.72 0 N-CA-C 114.201 0.808 . . . . 0.0 114.201 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -111.25 90.65 3.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.155 0.979 . . . . 0.0 110.218 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.2 121.59 38.15 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.368 2.267 . . . . 0.0 108.629 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.5 133.24 20.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.723 2.009 . . . . 0.0 112.349 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -75.32 -2.09 26.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.02 -38.42 2.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.483 1.513 . . . . 0.0 112.486 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.13 -174.35 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.086 1.355 . . . . 0.0 113.988 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.88 9.23 17.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.099 1.36 . . . . 0.0 113.639 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.24 139.38 58.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.253 -0.904 . . . . 0.0 112.291 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.85 35.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.113 0.565 . . . . 0.0 112.198 168.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 t -145.44 161.29 40.06 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.129 1.372 . . . . 0.0 112.29 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.86 -9.69 58.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.046 1.738 . . . . 0.0 114.31 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -131.73 130.29 41.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.344 1.057 . . . . 0.0 112.396 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.54 -28.63 70.0 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -63.27 -35.42 80.3 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.512 1.525 . . . . 0.0 113.093 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -70.44 -45.82 65.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.639 0.776 . . . . 0.0 110.681 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.97 -43.52 95.48 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.84 -0.537 . . . . 0.0 111.107 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -38.16 62.03 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 111.989 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -38.81 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.546 0.738 . . . . 0.0 111.936 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.15 -38.09 87.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.347 1.059 . . . . 0.0 112.472 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -27.72 68.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.779 1.231 . . . . 0.0 112.053 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 . . . . . 0 CA--C 1.546 0.816 0 O-C-N 121.595 -0.69 . . . . 0.0 112.786 172.016 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo . . . . . 0 CA--C 1.539 0.757 0 N-CA-C 114.561 0.946 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -108.43 91.13 3.52 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.958 0.885 . . . . 0.0 110.652 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -90.93 120.65 32.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.364 2.266 . . . . 0.0 109.339 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.2 136.54 19.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.696 1.998 . . . . 0.0 112.224 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.4 p -79.04 -4.18 48.86 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -117.93 -38.49 3.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.491 1.516 . . . . 0.0 112.226 -170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.19 -174.55 3.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.218 1.407 . . . . 0.0 113.728 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.67 7.58 22.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.931 1.292 . . . . 0.0 113.871 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.09 138.45 58.56 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.742 0.817 . . . . 0.0 112.456 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 143.75 24.73 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -139.06 160.57 39.46 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.464 . . . . 0.0 112.597 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -79.64 -13.75 59.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.293 1.837 . . . . 0.0 114.131 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.0 t -118.38 128.13 54.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.303 1.041 . . . . 0.0 112.507 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -64.63 -36.58 84.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.965 0.906 . . . . 0.0 111.783 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.4 m -68.65 -30.95 69.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.552 1.141 . . . . 0.0 112.574 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.76 -42.41 64.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.189 0.596 . . . . 0.0 111.801 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.17 -44.49 95.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.988 0.813 . . . . 0.0 111.199 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.87 -37.21 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.822 0.849 . . . . 0.0 111.898 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.82 71.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.108 0.563 . . . . 0.0 111.811 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -64.89 -36.46 84.43 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.443 1.097 . . . . 0.0 112.585 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -31.93 73.29 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.743 -1.223 . . . . 0.0 111.209 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 171.391 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 CA--C 1.538 0.725 0 N-CA-C 114.431 0.896 . . . . 0.0 114.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -112.87 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.006 0.922 . . . . 0.0 110.168 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -95.15 121.29 36.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.291 2.236 . . . . 0.0 108.86 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.09 132.98 19.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.948 2.099 . . . . 0.0 112.427 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -75.42 -2.53 29.09 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.39 -38.62 2.87 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.626 1.571 . . . . 0.0 112.535 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -134.59 -174.17 3.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 0.0 113.878 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -85.39 7.24 23.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.114 1.366 . . . . 0.0 113.565 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -64.45 139.13 58.73 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.211 -0.93 . . . . 0.0 112.356 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.86 33.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -145.55 163.34 35.07 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.838 1.255 . . . . 0.0 112.504 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -84.17 -7.83 59.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.396 1.878 . . . . 0.0 114.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 131.83 45.84 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.77 -38.74 86.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.677 1.191 . . . . 0.0 112.173 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.7 p -69.24 -24.65 64.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.858 0.863 . . . . 0.0 113.231 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.88 -41.51 29.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.256 0.623 . . . . 0.0 111.487 173.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.71 -45.3 94.77 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.223 -0.923 . . . . 0.0 111.625 170.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -50.05 -42.6 50.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.307 1.043 . . . . 0.0 111.86 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.67 -38.58 80.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.946 0.898 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -66.72 -38.02 85.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.362 1.065 . . . . 0.0 112.663 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -31.85 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.607 -1.308 . . . . 0.0 111.417 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 CA--C 1.546 0.81 0 O-C-N 121.38 -0.825 . . . . 0.0 113.152 172.342 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.847 0.672 . . . . 0.0 113.847 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -111.87 90.95 3.48 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.385 1.074 . . . . 0.0 110.364 -172.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -96.91 122.19 39.62 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.341 2.256 . . . . 0.0 109.005 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 t -50.23 140.61 12.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.411 1.884 . . . . 0.0 112.715 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 m -76.72 -8.64 57.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.992 . . . . 0.0 113.268 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.89 -40.38 2.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.964 1.305 . . . . 0.0 113.195 -168.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 p -126.39 -177.65 4.06 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.654 1.181 . . . . 0.0 113.155 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -87.36 12.59 11.67 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.23 138.55 58.31 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.54 -0.725 . . . . 0.0 112.33 169.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 154.24 37.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -147.55 161.46 41.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 112.405 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -84.73 -9.36 58.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.325 1.85 . . . . 0.0 114.393 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 131.02 42.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.557 1.143 . . . . 0.0 112.25 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -62.41 -28.96 70.15 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -63.93 -34.78 78.74 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.566 1.546 . . . . 0.0 113.17 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -70.04 -45.7 66.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.482 0.713 . . . . 0.0 110.568 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -63.57 -45.8 88.79 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.775 -0.578 . . . . 0.0 111.067 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.94 -35.47 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.781 1.233 . . . . 0.0 112.34 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.51 61.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.554 0.742 . . . . 0.0 112.121 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -65.03 -41.92 94.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.482 1.113 . . . . 0.0 112.475 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.6 mmm -64.59 -26.96 68.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.803 -1.186 . . . . 0.0 112.676 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.546 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 113.245 172.247 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 CA--C 1.541 0.842 0 N-CA-C 114.495 0.921 . . . . 0.0 114.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -111.06 90.69 3.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.147 0.979 . . . . 0.0 110.707 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -93.84 122.6 36.49 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.294 2.238 . . . . 0.0 108.702 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.37 134.01 19.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.074 . . . . 0.0 112.683 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 m -72.51 -4.58 31.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.954 0.901 . . . . 0.0 113.341 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -122.43 -38.47 2.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.367 1.467 . . . . 0.0 112.834 -168.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 p -134.51 -174.21 3.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.32 . . . . 0.0 114.117 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -86.18 9.58 17.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.023 1.329 . . . . 0.0 113.731 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.92 140.39 58.86 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.25 -0.906 . . . . 0.0 112.282 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.25 152.86 35.21 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.323 0.582 . . . . 0.0 112.294 168.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -142.56 160.1 40.94 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.492 1.517 . . . . 0.0 112.175 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.21 -11.09 59.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.01 1.724 . . . . 0.0 113.876 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -129.65 124.1 32.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.103 0.961 . . . . 0.0 112.673 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.02 -28.8 69.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 p -65.79 -33.44 75.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.214 1.406 . . . . 0.0 113.098 173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -74.23 -39.32 63.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.428 0.691 . . . . 0.0 111.425 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.05 -46.69 80.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.38 -43.75 34.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.323 1.049 . . . . 0.0 111.888 173.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.96 74.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.981 0.912 . . . . 0.0 112.502 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -66.94 -38.76 86.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.544 1.138 . . . . 0.0 112.335 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -33.84 75.76 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.903 -1.123 . . . . 0.0 111.292 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 173.53 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo . . . . . 0 CA--C 1.537 0.667 0 N-CA-C 114.708 1.003 . . . . 0.0 114.708 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -114.52 90.72 3.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 122.024 0.916 . . . . 0.0 110.439 -175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.35 122.46 36.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.331 2.252 . . . . 0.0 108.938 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -49.72 134.68 20.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.065 2.146 . . . . 0.0 113.051 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 m -73.82 -4.69 36.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.183 0.993 . . . . 0.0 113.331 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -122.83 -38.28 2.64 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.256 1.422 . . . . 0.0 112.966 -168.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 p -133.71 -174.65 3.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.048 1.339 . . . . 0.0 113.956 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.6 8.01 21.04 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.12 1.368 . . . . 0.0 113.579 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 139.24 58.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.216 -0.927 . . . . 0.0 112.436 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.83 150.87 32.62 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -146.01 165.83 27.86 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.905 1.282 . . . . 0.0 112.244 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -88.4 -9.43 52.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.211 1.804 . . . . 0.0 115.483 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 t -132.12 138.21 48.0 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.641 1.177 . . . . 0.0 112.512 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.17 -31.53 71.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.754 0.821 . . . . 0.0 112.538 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -68.1 -31.06 70.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 112.694 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.83 -48.18 47.98 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.481 0.712 . . . . 0.0 110.419 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.76 -42.12 99.54 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.683 -0.636 . . . . 0.0 111.594 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -38.61 62.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.086 0.955 . . . . 0.0 111.946 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.33 67.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.29 0.636 . . . . 0.0 111.811 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -65.43 -37.04 85.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.333 1.053 . . . . 0.0 112.448 174.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.03 -31.13 71.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.685 1.194 . . . . 0.0 111.445 174.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 CA--C 1.546 0.811 0 O-C-N 121.272 -0.892 . . . . 0.0 112.944 171.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.151 0.789 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -110.39 90.4 3.31 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.84 0.856 . . . . 0.0 111.127 -172.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -89.67 126.15 35.53 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.769 2.428 . . . . 0.0 110.288 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.97 146.85 10.23 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.219 2.208 . . . . 0.0 113.013 171.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -83.8 -8.33 59.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.273 . . . . 0.0 113.353 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.14 -39.22 2.71 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.067 1.347 . . . . 0.0 112.834 -169.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -130.45 -179.37 5.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.269 1.427 . . . . 0.0 113.076 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.74 9.69 11.21 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.542 1.137 . . . . 0.0 113.545 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.89 135.78 57.5 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.14 -0.975 . . . . 0.0 112.319 172.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.51 150.34 33.23 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -143.73 161.29 38.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.861 1.264 . . . . 0.0 112.384 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -87.15 -3.07 59.04 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.51 1.924 . . . . 0.0 114.495 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -131.17 129.79 42.19 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.932 0.893 . . . . 0.0 112.941 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.51 -35.63 80.0 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 112.36 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -69.09 -25.28 64.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.905 0.882 . . . . 0.0 113.214 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -77.7 -41.87 36.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.374 0.67 . . . . 0.0 111.199 173.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.78 -48.15 82.82 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.468 -0.77 . . . . 0.0 111.491 170.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -48.46 -41.91 30.99 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.531 1.132 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.15 74.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.841 0.856 . . . . 0.0 111.573 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -59.09 -37.43 77.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.322 1.049 . . . . 0.0 113.205 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 90.5 mmm -67.69 -23.94 65.35 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.757 -1.215 . . . . 0.0 112.739 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 123.645 0.778 . . . . 0.0 112.099 169.547 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 CA--C 1.541 0.852 0 N-CA-C 114.12 0.777 . . . . 0.0 114.12 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.88 90.6 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.099 0.952 . . . . 0.0 110.914 -174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -88.84 124.91 34.64 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.517 2.327 . . . . 0.0 109.85 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -51.72 134.94 30.01 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.24 1.816 . . . . 0.0 110.906 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 p -79.87 -2.87 45.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.045 0.938 . . . . 0.0 113.224 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.0 mt -118.37 -38.49 3.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.56 1.544 . . . . 0.0 112.244 -169.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.16 -175.96 4.03 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.252 1.421 . . . . 0.0 113.194 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.27 5.91 24.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.589 1.155 . . . . 0.0 113.651 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.75 136.67 57.98 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.156 -0.965 . . . . 0.0 112.619 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.71 147.85 27.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -142.01 163.68 32.22 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.458 1.503 . . . . 0.0 112.561 -172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -83.56 -10.51 58.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.424 1.889 . . . . 0.0 114.21 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -120.09 127.15 52.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.401 1.08 . . . . 0.0 112.848 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -62.58 -33.88 75.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.445 0.698 . . . . 0.0 112.635 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -75.05 -23.83 58.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.55 -41.54 46.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.886 0.766 . . . . 0.0 111.373 171.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.24 -46.57 89.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.132 -0.98 . . . . 0.0 112.017 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -49.02 -42.62 38.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.761 1.224 . . . . 0.0 112.113 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.47 -38.06 77.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.997 0.919 . . . . 0.0 112.165 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -67.0 -38.69 86.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.596 1.159 . . . . 0.0 112.529 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -31.59 72.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.727 -1.233 . . . . 0.0 111.637 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 CA--C 1.547 0.846 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 172.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 CA--C 1.535 0.558 0 N-CA-C 114.966 1.102 . . . . 0.0 114.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -108.13 90.22 3.23 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.903 0.858 . . . . 0.0 110.477 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -86.62 123.09 31.42 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.386 2.274 . . . . 0.0 109.925 173.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.06 134.78 38.18 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.643 169.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 p -79.54 -3.96 49.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.099 0.96 . . . . 0.0 113.16 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 mt -116.52 -38.44 3.51 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.579 1.552 . . . . 0.0 111.978 -169.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -134.35 -174.31 3.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.127 1.371 . . . . 0.0 113.419 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.63 7.99 24.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.601 1.16 . . . . 0.0 114.093 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -63.53 137.04 57.97 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.525 0.73 . . . . 0.0 112.441 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.26 34.18 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -143.55 164.39 30.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.81 1.244 . . . . 0.0 112.417 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -85.38 -9.92 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.453 1.901 . . . . 0.0 114.319 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -129.04 125.42 37.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.313 1.045 . . . . 0.0 112.164 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.57 -31.93 72.0 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -67.19 -27.19 67.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.674 1.59 . . . . 0.0 113.358 173.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -81.4 -40.32 23.61 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.922 0.889 . . . . 0.0 111.098 174.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.51 -45.86 92.25 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.293 -0.879 . . . . 0.0 111.528 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -48.56 -44.22 36.4 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.198 0.999 . . . . 0.0 111.847 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.14 70.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.26 1.024 . . . . 0.0 112.971 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -72.32 -39.72 68.0 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.434 1.094 . . . . 0.0 112.36 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -31.68 72.85 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.49 1.116 . . . . 0.0 111.638 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 CA--C 1.546 0.799 0 C-N-CA 124.047 0.939 . . . . 0.0 113.142 172.303 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.052 0.751 . . . . 0.0 114.052 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.96 90.46 3.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.018 0.927 . . . . 0.0 110.477 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.76 126.77 34.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.574 1.949 . . . . 0.0 109.414 170.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.24 138.11 26.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.008 1.723 . . . . 0.0 111.995 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -76.9 -4.82 45.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.099 0.96 . . . . 0.0 113.028 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 mt -121.76 -37.82 2.82 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.381 1.472 . . . . 0.0 112.448 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -136.51 -173.34 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.06 -7.04 55.01 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.148 1.779 . . . . 0.0 113.728 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.79 135.7 57.77 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.389 0.676 . . . . 0.0 112.574 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.83 150.95 35.14 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 170.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -144.18 162.3 36.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.978 1.311 . . . . 0.0 112.097 -174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -88.73 -7.24 56.63 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.08 1.752 . . . . 0.0 114.326 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -131.88 130.47 41.69 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.619 1.168 . . . . 0.0 111.902 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.83 -28.92 69.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -63.61 -35.12 79.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.584 1.553 . . . . 0.0 113.266 174.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.34 -46.55 66.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.559 0.744 . . . . 0.0 110.643 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.32 -43.94 93.12 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.809 -0.557 . . . . 0.0 111.441 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -52.78 -37.68 59.99 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.734 0.814 . . . . 0.0 112.079 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -42.09 63.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.203 0.601 . . . . 0.0 111.516 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.33 -35.69 81.21 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.155 0.982 . . . . 0.0 112.412 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -22.56 65.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.831 1.252 . . . . 0.0 112.183 174.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 . . . . . 0 CA--C 1.544 0.715 0 C-N-CA 123.944 0.898 . . . . 0.0 112.261 169.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HD2' ' A' ' 20' ' ' ARG . 92.8 Cg_endo . . . . . 0 CA--C 1.538 0.704 0 N-CA-C 113.801 0.654 . . . . 0.0 113.801 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -111.21 90.47 3.34 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.198 0.999 . . . . 0.0 110.165 -173.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.42 122.12 36.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.436 2.295 . . . . 0.0 108.645 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -49.23 131.86 19.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.878 2.071 . . . . 0.0 112.38 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 m -71.6 -3.87 23.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.849 0.859 . . . . 0.0 113.255 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -122.62 -38.82 2.6 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.495 1.518 . . . . 0.0 112.838 -168.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.48 3.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.846 1.258 . . . . 0.0 114.061 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -84.69 6.74 23.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.169 1.388 . . . . 0.0 113.624 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.78 139.32 58.75 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.239 -0.913 . . . . 0.0 112.472 172.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 153.69 36.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 160.14 42.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.123 1.369 . . . . 0.0 112.232 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HD2' ' HD2' ' A' ' 9' ' ' PRO . 16.5 mmm180 -80.91 -9.29 59.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.002 1.721 . . . . 0.0 114.017 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.8 m -127.91 124.82 38.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.318 1.047 . . . . 0.0 112.785 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.66 -40.88 89.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.251 1.021 . . . . 0.0 112.455 -176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -64.95 -23.28 67.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.43 1.092 . . . . 0.0 113.546 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -81.99 -40.29 22.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.523 0.729 . . . . 0.0 111.339 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.23 -45.82 92.95 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.288 -0.882 . . . . 0.0 111.518 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -48.17 -44.04 32.12 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.809 1.244 . . . . 0.0 111.96 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -34.45 72.01 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 112.71 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.35 -39.16 74.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.459 1.104 . . . . 0.0 112.42 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -35.39 78.08 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.961 -1.087 . . . . 0.0 111.217 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.881 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 CA--C 1.538 0.688 0 N-CA-C 114.099 0.769 . . . . 0.0 114.099 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -108.92 90.76 3.39 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.06 0.944 . . . . 0.0 110.684 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -86.44 124.28 32.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.277 2.231 . . . . 0.0 109.966 172.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -52.9 135.62 35.95 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.754 1.622 . . . . 0.0 111.507 170.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -78.01 -5.19 50.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.55 1.14 . . . . 0.0 113.172 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.62 -38.2 3.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.404 1.482 . . . . 0.0 112.332 -169.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.47 3.54 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.189 1.395 . . . . 0.0 113.523 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 8.2 24.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.748 1.219 . . . . 0.0 114.019 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.54 138.02 58.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.524 0.73 . . . . 0.0 112.464 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.49 153.56 38.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 169.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -146.51 160.6 41.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 112.523 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.94 -10.49 57.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.286 1.834 . . . . 0.0 114.538 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -132.48 130.54 40.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.431 1.092 . . . . 0.0 112.071 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.15 -31.04 70.77 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -66.44 -26.91 67.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.507 1.123 . . . . 0.0 113.439 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -73.27 -46.24 51.04 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.576 0.626 . . . . 0.0 110.299 173.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.22 -44.66 91.2 Favored 'General case' 0 C--N 1.343 0.283 0 O-C-N 121.712 -0.618 . . . . 0.0 111.41 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -47.58 -44.0 25.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.422 1.089 . . . . 0.0 112.101 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.5 73.35 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.92 0.888 . . . . 0.0 112.2 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.47 -36.9 85.68 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.427 1.091 . . . . 0.0 112.582 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -30.0 70.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.7 -1.25 . . . . 0.0 111.606 174.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 . . . . . 0 CA--C 1.545 0.773 0 O-C-N 121.311 -0.868 . . . . 0.0 112.561 171.618 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -146.14 161.57 39.9 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.467 1.507 . . . . 0.0 112.447 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m -68.13 142.71 55.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.429 1.092 . . . . 0.0 112.944 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.04 173.36 54.92 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.456 1.027 . . . . 0.0 114.125 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m -81.1 -11.79 59.41 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 m 54.55 23.9 4.97 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.546 1.938 . . . . 0.0 115.87 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.42 -33.64 0.68 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 126.18 1.848 . . . . 0.0 115.807 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.43 143.85 47.02 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.952 1.701 . . . . 0.0 112.43 -178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -70.41 -39.66 5.05 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 124.959 3.773 . . . . 0.0 114.236 -173.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -112.29 90.73 3.42 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.035 0.934 . . . . 0.0 110.312 -173.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -98.05 121.93 40.56 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.508 2.323 . . . . 0.0 108.901 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.05 139.03 11.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.149 2.18 . . . . 0.0 113.134 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.1 p -77.34 -5.44 49.62 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.1 mt -121.52 -40.32 2.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.078 1.351 . . . . 0.0 112.889 -170.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.2 p -129.12 -176.88 4.01 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.769 1.228 . . . . 0.0 113.874 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -83.84 8.24 15.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.031 1.332 . . . . 0.0 113.423 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -64.9 136.84 57.3 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.241 -0.912 . . . . 0.0 112.337 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.41 151.95 34.89 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 t -144.77 163.55 33.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.231 1.412 . . . . 0.0 112.245 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -87.7 -3.29 58.97 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.591 1.956 . . . . 0.0 114.083 178.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -134.84 134.94 41.31 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.313 0.961 . . . . 0.0 113.417 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -66.0 -31.32 72.16 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.201 1.0 . . . . 0.0 113.651 -176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.6 p -70.05 -30.16 67.37 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.76 0.824 . . . . 0.0 112.436 175.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -73.63 -42.45 61.43 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.999 0.92 . . . . 0.0 110.952 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.23 -45.8 93.04 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.702 -0.624 . . . . 0.0 111.295 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -53.45 -36.88 62.08 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.491 -0.755 . . . . 0.0 112.294 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.97 -36.63 72.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.379 0.672 . . . . 0.0 111.983 176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -67.12 -41.11 86.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.483 1.113 . . . . 0.0 112.735 172.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.9 mmm -66.27 -26.99 67.6 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 120.755 -1.215 . . . . 0.0 112.721 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -67.15 -29.4 69.1 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.497 -0.752 . . . . 0.0 112.523 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -67.07 -44.63 79.6 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.312 0.96 . . . . 0.0 111.4 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -61.98 -35.63 79.07 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 172.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -69.79 -42.71 73.4 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.141 0.977 . . . . 0.0 112.998 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.2 t -82.85 -24.24 33.35 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -73.0 121.42 20.07 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.027 -1.046 . . . . 0.0 111.885 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.625 1.97 . . . . 0.0 112.561 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.666 -0.573 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -63.88 -19.51 65.13 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -173.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 p -64.14 -28.69 69.94 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.217 1.007 . . . . 0.0 113.006 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.56 -46.54 31.54 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.368 0.985 . . . . 0.0 112.77 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -73.79 -26.86 60.84 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -75.35 -18.08 60.08 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.18 0.992 . . . . 0.0 113.194 169.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.73 -131.46 3.97 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.128 1.823 . . . . 0.0 113.367 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -104.24 138.59 19.56 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 124.568 1.147 . . . . 0.0 111.729 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.35 -39.11 5.7 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.981 3.788 . . . . 0.0 113.953 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -108.75 90.69 3.37 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.113 0.965 . . . . 0.0 110.328 -173.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -97.9 121.81 40.26 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.7 2.4 . . . . 0.0 108.961 178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.6 t -49.2 139.21 11.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.174 2.189 . . . . 0.0 113.195 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.8 p -76.99 -6.06 51.14 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.7 mt -121.1 -40.57 2.59 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.946 1.298 . . . . 0.0 112.99 -171.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.3 p -128.07 -177.21 4.05 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.657 1.183 . . . . 0.0 113.788 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -83.79 8.25 15.3 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.953 1.301 . . . . 0.0 113.471 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -65.03 137.49 57.74 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.159 -0.963 . . . . 0.0 112.58 172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 154.24 37.76 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 169.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -146.47 159.81 42.92 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.996 1.318 . . . . 0.0 112.305 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -78.74 -10.36 59.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.861 1.665 . . . . 0.0 113.878 174.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.9 m -126.75 122.56 35.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.336 1.055 . . . . 0.0 112.813 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.77 -31.45 72.41 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -65.89 -31.35 72.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.274 1.43 . . . . 0.0 112.913 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -77.12 -40.9 44.07 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.154 0.982 . . . . 0.0 111.096 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.89 -46.49 89.16 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.451 -0.781 . . . . 0.0 111.071 170.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.36 -37.38 56.08 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.988 0.915 . . . . 0.0 112.361 175.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.8 68.86 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.399 0.679 . . . . 0.0 112.138 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -64.69 -40.26 95.08 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.273 1.029 . . . . 0.0 112.713 172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.16 -27.38 69.03 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.856 -1.153 . . . . 0.0 112.572 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -72.95 -11.88 60.74 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -80.6 -27.41 37.36 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.897 -1.127 . . . . 0.0 112.376 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -75.33 -9.8 58.89 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.229 1.012 . . . . 0.0 113.265 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -76.4 53.72 0.86 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.905 2.082 . . . . 0.0 113.39 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -151.2 177.02 10.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.121 1.768 . . . . 0.0 111.48 -173.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.48 157.11 34.49 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.208 1.403 . . . . 0.0 113.124 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 mptt . . . . . 0 C--O 1.254 1.315 0 C-N-CA 126.112 1.765 . . . . 0.0 111.492 178.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.543 -0.623 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p 55.44 -21.23 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 130.352 3.461 . . . . 0.0 119.687 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m 54.26 28.3 9.03 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.872 1.669 . . . . 0.0 113.818 -172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.28 -0.36 61.53 Favored Glycine 0 CA--C 1.539 1.552 0 C-N-CA 125.318 1.437 . . . . 0.0 116.363 -173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -144.36 148.96 35.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.142 1.377 . . . . 0.0 111.998 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 t -155.17 172.25 18.46 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.248 1.819 . . . . 0.0 111.077 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.33 -36.14 0.08 OUTLIER Glycine 0 CA--C 1.532 1.142 0 N-CA-C 115.528 0.971 . . . . 0.0 115.528 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -101.05 143.24 26.2 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 124.683 1.193 . . . . 0.0 111.489 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.98 -37.29 5.03 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.995 3.13 . . . . 0.0 113.898 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -114.66 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.906 0.882 . . . . 0.0 111.106 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -86.64 126.67 34.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.378 2.271 . . . . 0.0 109.611 170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.0 t -50.48 142.01 11.28 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.537 1.935 . . . . 0.0 112.326 170.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 m -76.35 -8.38 57.0 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.076 0.95 . . . . 0.0 113.184 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.9 mt -124.74 -39.93 2.24 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.97 1.308 . . . . 0.0 113.218 -168.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -127.32 -177.56 4.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.719 1.207 . . . . 0.0 113.831 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.38 2.4 28.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 -177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -61.48 134.58 57.04 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 121.3 -0.875 . . . . 0.0 112.513 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.8 153.67 39.49 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 169.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 t -146.69 162.55 38.26 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.808 1.243 . . . . 0.0 112.235 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mmm-85 -79.95 -13.02 59.66 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.16 1.784 . . . . 0.0 114.151 174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.3 m -124.48 123.72 40.74 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.033 0.933 . . . . 0.0 112.524 -175.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.83 -36.68 77.32 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.179 0.992 . . . . 0.0 112.185 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.7 p -64.4 -27.79 69.25 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.491 1.517 . . . . 0.0 113.736 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.7 -41.66 23.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.992 0.917 . . . . 0.0 111.11 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.36 -46.53 88.38 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.459 -0.776 . . . . 0.0 111.425 170.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -48.7 -43.13 36.85 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.504 1.122 . . . . 0.0 112.105 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.17 -34.97 75.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.14 0.976 . . . . 0.0 112.378 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -67.82 -42.48 81.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.411 1.085 . . . . 0.0 112.657 170.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 93.7 mmm -63.54 -28.33 69.87 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.712 -1.243 . . . . 0.0 112.902 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.07 -29.18 70.33 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.455 -0.778 . . . . 0.0 112.479 171.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -71.3 -29.76 65.43 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.377 1.071 . . . . 0.0 112.635 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -75.38 -31.05 60.34 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.238 0.615 . . . . 0.0 111.862 169.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -73.51 -36.08 65.68 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.48 1.112 . . . . 0.0 113.218 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 p -69.23 143.74 53.87 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.818 0.847 . . . . 0.0 112.974 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -78.89 159.27 27.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.199 1.0 . . . . 0.0 112.755 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 126.217 1.807 . . . . 0.0 111.713 178.674 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.739 -0.545 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -85.24 -12.69 51.93 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.7 p -75.81 158.92 31.57 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.367 1.467 . . . . 0.0 113.526 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.56 -173.02 45.44 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.037 1.304 . . . . 0.0 112.967 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.3 t -69.1 142.78 54.35 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.644 0.778 . . . . 0.0 112.205 177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -77.94 -15.34 59.07 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.427 1.091 . . . . 0.0 113.63 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.75 -118.72 15.41 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 124.109 0.861 . . . . 0.0 112.124 -176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.58 140.32 31.44 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 124.815 1.246 . . . . 0.0 110.881 171.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -67.35 -40.01 11.69 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 125.086 3.857 . . . . 0.0 115.029 -170.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -105.68 90.68 3.47 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.744 0.783 . . . . 0.0 110.5 -173.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -91.76 121.09 33.07 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 127.359 2.263 . . . . 0.0 109.625 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.59 142.96 10.04 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.814 2.046 . . . . 0.0 113.214 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.7 m -77.88 -9.32 59.01 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.395 1.078 . . . . 0.0 113.313 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.62 -40.31 2.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.836 1.255 . . . . 0.0 113.117 -169.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.2 p -126.21 -177.96 4.15 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.713 1.205 . . . . 0.0 113.35 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.94 9.83 13.39 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.678 1.191 . . . . 0.0 113.88 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -63.9 136.34 57.29 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 123.399 0.679 . . . . 0.0 112.341 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.57 142.49 24.78 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -138.67 163.5 31.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.107 1.363 . . . . 0.0 112.38 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -90.29 0.84 57.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.787 2.035 . . . . 0.0 115.003 -177.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.3 t -135.65 135.66 40.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.323 1.049 . . . . 0.0 112.307 173.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -61.88 -29.43 70.19 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.57 0.748 . . . . 0.0 112.471 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -71.17 -31.62 67.89 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.544 1.138 . . . . 0.0 112.682 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -69.14 -47.69 64.36 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.084 0.554 . . . . 0.0 110.368 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.8 -45.89 92.66 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.899 -0.5 . . . . 0.0 111.366 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -37.78 51.36 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.012 0.925 . . . . 0.0 112.403 175.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.65 65.61 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.372 0.669 . . . . 0.0 111.995 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -63.12 -40.5 97.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.45 1.1 . . . . 0.0 112.514 174.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.5 mmm -63.95 -31.01 72.05 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.719 -1.238 . . . . 0.0 112.2 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -70.2 -17.68 63.16 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 113.55 0.945 . . . . 0.0 113.55 172.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -75.96 -28.16 57.79 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 119.622 1.101 . . . . 0.0 112.464 170.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -73.21 -24.16 60.47 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 171.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.0 m -73.6 6.08 3.37 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 p -64.6 149.55 48.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.85 1.26 . . . . 0.0 113.134 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.09 145.98 52.97 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.589 0.756 . . . . 0.0 111.254 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.6 mttm . . . . . 0 C--O 1.254 1.319 0 C-N-CA 124.827 1.251 . . . . 0.0 112.642 -169.339 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.47 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -136.81 156.2 48.81 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.342 1.457 . . . . 0.0 112.201 -176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -74.41 162.07 29.2 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.483 1.113 . . . . 0.0 112.76 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.2 -8.16 83.02 Favored Glycine 0 CA--C 1.536 1.404 0 N-CA-C 115.656 1.022 . . . . 0.0 115.656 -178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -84.05 46.44 1.2 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.727 1.611 . . . . 0.0 112.936 -175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -65.66 103.55 0.89 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.74 1.216 . . . . 0.0 112.897 -171.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.34 -3.87 57.26 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 125.441 1.496 . . . . 0.0 116.691 174.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -131.76 138.94 33.68 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 119.175 1.487 . . . . 0.0 111.196 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.42 -36.86 3.61 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.232 2.622 . . . . 0.0 114.372 -173.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -117.11 90.5 3.35 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.967 0.907 . . . . 0.0 110.392 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 14.3 tptm -94.58 125.97 39.57 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 127.498 2.319 . . . . 0.0 109.595 172.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -50.99 143.14 10.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.728 2.011 . . . . 0.0 112.524 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.1 m -79.09 -7.87 58.5 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.497 1.119 . . . . 0.0 113.326 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -122.17 -39.79 2.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.048 1.339 . . . . 0.0 113.076 -168.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.5 -179.56 5.23 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 113.819 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -81.7 10.4 6.19 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.333 1.453 . . . . 0.0 113.662 -179.748 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.95 133.57 51.15 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 121.198 -0.939 . . . . 0.0 112.05 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.94 152.92 38.33 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.423 0.63 . . . . 0.0 112.493 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -146.96 166.23 27.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.971 1.308 . . . . 0.0 112.012 -174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -90.71 -8.51 49.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.198 1.799 . . . . 0.0 115.037 -177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.4 t -130.85 136.05 48.29 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.765 1.226 . . . . 0.0 112.117 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -62.21 -32.69 73.38 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.469 0.707 . . . . 0.0 112.263 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -66.71 -28.04 68.12 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.663 1.185 . . . . 0.0 113.218 176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -73.12 -47.23 45.95 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.527 0.603 . . . . 0.0 110.48 172.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 tp -62.36 -45.99 90.68 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.758 -0.589 . . . . 0.0 111.418 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -46.2 -44.21 15.93 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.835 1.254 . . . . 0.0 112.28 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.44 -37.97 74.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.195 0.998 . . . . 0.0 112.402 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -65.19 -40.76 94.68 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.28 1.032 . . . . 0.0 112.802 172.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 92.0 mmm -64.9 -26.69 68.42 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 120.613 -1.304 . . . . 0.0 112.783 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.98 -22.83 63.1 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.481 -0.762 . . . . 0.0 112.939 171.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.42 -34.9 68.18 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.539 1.063 . . . . 0.0 111.988 172.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -70.3 -27.26 64.25 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.148 0.579 . . . . 0.0 112.28 169.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.6 m -85.26 -1.41 56.91 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.398 1.479 . . . . 0.0 114.495 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.5 p -131.12 166.1 21.83 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.793 1.637 . . . . 0.0 112.402 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -129.44 157.33 42.27 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.307 1.443 . . . . 0.0 112.331 -178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.672 1.589 . . . . 0.0 112.807 -174.206 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -148.4 -59.97 0.24 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.477 1.111 . . . . 0.0 112.565 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m 54.02 23.0 3.74 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.394 1.478 . . . . 0.0 114.893 -172.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.17 -12.29 71.88 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 124.675 1.131 . . . . 0.0 115.594 -177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -148.77 149.71 31.84 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.62 1.568 . . . . 0.0 111.45 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -80.63 -14.92 57.75 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.213 1.405 . . . . 0.0 113.383 170.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.51 -39.68 0.9 Allowed Glycine 0 CA--C 1.536 1.359 0 C-N-CA 126.1 1.809 . . . . 0.0 115.197 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -126.56 141.26 39.65 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.146 1.778 . . . . 0.0 111.194 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.37 -38.59 6.28 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 124.773 3.649 . . . . 0.0 114.266 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -111.7 90.48 3.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.782 0.833 . . . . 0.0 110.847 -172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -90.73 125.83 35.81 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.651 2.38 . . . . 0.0 110.017 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -52.57 143.58 15.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.783 2.033 . . . . 0.0 112.489 171.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.6 m -80.24 -8.48 59.48 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.608 1.163 . . . . 0.0 113.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.9 mt -121.77 -39.91 2.59 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.994 1.318 . . . . 0.0 112.998 -169.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -128.61 -179.92 5.32 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.886 1.274 . . . . 0.0 113.004 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -83.51 9.42 11.34 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.475 1.11 . . . . 0.0 113.509 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -63.04 134.9 56.85 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 121.197 -0.94 . . . . 0.0 112.453 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.3 152.47 37.17 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 169.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -146.15 164.16 33.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.019 1.327 . . . . 0.0 112.301 -174.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -90.31 -6.35 55.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.489 1.916 . . . . 0.0 114.964 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 m -130.38 130.56 44.52 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.331 1.053 . . . . 0.0 111.711 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -61.06 -32.67 72.31 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.773 0.829 . . . . 0.0 112.22 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -62.03 -35.15 77.71 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.745 1.618 . . . . 0.0 113.615 174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -69.38 -46.28 67.29 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.484 0.714 . . . . 0.0 110.513 174.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.58 -46.12 89.77 Favored 'General case' 0 N--CA 1.465 0.306 0 O-C-N 121.912 -0.493 . . . . 0.0 111.055 177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.18 -38.65 53.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.138 0.975 . . . . 0.0 112.117 175.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.65 -38.51 67.66 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.591 0.756 . . . . 0.0 112.144 176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -64.18 -41.45 97.11 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.441 1.097 . . . . 0.0 112.587 173.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.2 mmm -65.18 -27.28 68.59 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 120.702 -1.249 . . . . 0.0 112.757 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -70.24 -21.04 63.03 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -75.28 -33.08 61.2 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.601 1.092 . . . . 0.0 112.281 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -71.85 -22.76 61.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 171.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.3 t -76.36 62.93 1.88 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.063 1.745 . . . . 0.0 112.684 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 t -150.56 -28.95 0.21 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.285 1.834 . . . . 0.0 112.463 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -84.36 -1.69 55.87 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.589 1.156 . . . . 0.0 113.643 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.538 2.335 . . . . 0.0 111.699 -178.538 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 m 53.09 35.75 20.47 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.931 1.292 . . . . 0.0 113.148 -172.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 m -73.12 -20.86 60.84 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.344 1.457 . . . . 0.0 114.747 -169.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.15 -178.09 38.06 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.778 1.18 . . . . 0.0 114.517 -177.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -128.13 -0.69 5.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.51 1.524 . . . . 0.0 114.685 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -86.08 169.13 13.43 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.996 1.318 . . . . 0.0 112.99 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.36 -175.22 54.96 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.323 1.44 . . . . 0.0 114.863 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -79.17 151.26 75.43 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 125.084 1.354 . . . . 0.0 112.226 -176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -69.78 -37.7 8.77 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 124.258 3.305 . . . . 0.0 114.025 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -114.9 90.72 3.41 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.126 0.97 . . . . 0.0 110.192 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.81 121.69 40.03 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.184 2.194 . . . . 0.0 108.726 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -49.25 132.44 19.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.843 2.057 . . . . 0.0 112.227 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.4 p -75.24 -1.89 25.49 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.227 -0.92 . . . . 0.0 113.451 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.6 mt -121.09 -38.42 2.82 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.569 1.548 . . . . 0.0 112.498 -169.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -134.91 -174.21 3.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.116 1.366 . . . . 0.0 113.929 -178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -85.78 8.62 19.26 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.951 1.3 . . . . 0.0 113.712 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.12 139.59 58.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.244 -0.91 . . . . 0.0 112.572 171.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.27 154.59 38.17 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 168.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.6 t -145.78 160.84 41.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 112.315 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -81.34 -11.14 59.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.153 1.781 . . . . 0.0 113.941 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.8 m -127.29 124.37 38.6 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.146 0.978 . . . . 0.0 112.59 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.53 -35.29 72.06 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.221 1.008 . . . . 0.0 112.482 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.6 p -57.48 -33.36 67.91 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.834 1.654 . . . . 0.0 113.715 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -83.58 -38.82 21.14 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.238 1.015 . . . . 0.0 110.72 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.72 -45.48 89.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.927 0.785 . . . . 0.0 111.263 172.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -49.36 -43.6 44.13 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.235 1.014 . . . . 0.0 111.71 173.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.18 75.53 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.233 1.013 . . . . 0.0 112.264 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -68.15 -39.44 82.63 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.567 1.147 . . . . 0.0 112.559 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.3 -32.0 73.43 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.751 1.22 . . . . 0.0 111.671 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.97 -31.44 72.63 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.488 -0.758 . . . . 0.0 112.474 172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -67.48 -32.02 72.56 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.417 1.008 . . . . 0.0 112.537 175.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.1 -33.89 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.201 0.6 . . . . 0.0 112.216 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.6 t -76.47 -37.92 56.15 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.586 1.154 . . . . 0.0 113.999 -173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.8 p -71.02 150.09 45.97 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 121.223 -0.923 . . . . 0.0 113.292 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -97.89 6.8 47.33 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.31 1.444 . . . . 0.0 114.265 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.255 1.363 0 C-N-CA 126.09 1.756 . . . . 0.0 112.904 -176.384 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -91.41 -1.42 57.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.385 1.474 . . . . 0.0 114.783 -176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -76.98 27.44 0.14 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.218 1.807 . . . . 0.0 115.145 -172.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.49 -170.11 41.99 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.159 1.362 . . . . 0.0 113.453 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 p -77.1 56.32 1.25 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.286 1.834 . . . . 0.0 113.003 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 61.18 167.21 0.09 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.851 2.06 . . . . 0.0 114.281 -169.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.92 157.46 50.33 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.196 0.903 . . . . 0.0 114.401 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -133.25 145.76 58.09 Favored Pre-proline 0 N--CA 1.475 0.82 0 C-N-CA 126.577 1.951 . . . . 0.0 109.842 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.0 -36.06 3.75 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.095 2.53 . . . . 0.0 113.924 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -118.19 90.4 3.33 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.167 0.984 . . . . 0.0 110.722 -177.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 16' ' ' GLU . 18.9 tptm -90.77 125.56 35.74 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.588 2.355 . . . . 0.0 109.359 171.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.3 t -51.14 137.66 21.67 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.42 1.888 . . . . 0.0 111.291 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.9 p -80.99 -2.93 49.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.062 0.945 . . . . 0.0 113.384 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -118.28 -38.02 3.25 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.523 1.529 . . . . 0.0 112.262 -169.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -136.04 -176.1 4.2 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.416 1.486 . . . . 0.0 113.466 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HA ' ' HE3' ' A' ' 11' ' ' LYS . 18.8 tt0 -84.7 8.52 16.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.991 1.316 . . . . 0.0 113.713 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -63.63 138.25 58.43 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.23 -0.919 . . . . 0.0 112.506 171.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.99 154.36 39.25 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -144.19 162.4 36.42 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.544 1.538 . . . . 0.0 111.68 -177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -85.0 -7.53 59.1 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.17 1.788 . . . . 0.0 113.772 173.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -129.03 121.52 28.08 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.371 1.068 . . . . 0.0 112.575 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.97 -35.23 74.53 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -176.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 m -66.69 -23.53 66.14 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.439 1.096 . . . . 0.0 113.093 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.2 -37.59 21.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.104 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.94 -45.7 91.21 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.395 -0.816 . . . . 0.0 111.332 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -48.47 -43.13 34.42 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.748 1.219 . . . . 0.0 111.882 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.29 -40.03 77.97 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.984 0.914 . . . . 0.0 112.037 177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -65.21 -38.0 89.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.369 1.068 . . . . 0.0 112.624 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.33 -26.02 67.1 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.736 1.215 . . . . 0.0 112.229 178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -73.92 -27.32 60.98 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.579 0.751 . . . . 0.0 112.815 171.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.83 -31.67 72.43 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.44 1.018 . . . . 0.0 112.229 175.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -67.25 -6.86 20.09 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.4 t -74.11 -6.6 48.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -139.26 169.24 18.13 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.767 1.627 . . . . 0.0 111.614 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 52.76 43.08 31.82 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.786 1.634 . . . . 0.0 112.936 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.994 2.118 . . . . 0.0 112.338 -173.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -83.8 -16.45 44.57 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 m 57.28 17.95 3.99 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.039 1.736 . . . . 0.0 114.831 -169.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.92 155.7 48.31 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.561 1.077 . . . . 0.0 113.288 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -153.29 170.3 20.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.832 1.253 . . . . 0.0 112.584 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -81.27 6.94 12.64 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.733 1.213 . . . . 0.0 113.695 172.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.85 -151.64 46.24 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.433 1.015 . . . . 0.0 113.302 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.79 140.47 26.17 Favored Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 124.652 1.181 . . . . 0.0 112.984 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -75.13 -41.84 0.58 Allowed 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 124.817 3.678 . . . . 0.0 114.201 -176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -111.25 90.65 3.39 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.155 0.979 . . . . 0.0 110.218 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -96.2 121.59 38.15 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 127.368 2.267 . . . . 0.0 108.629 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -49.5 133.24 20.63 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.723 2.009 . . . . 0.0 112.349 176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -75.32 -2.09 26.67 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.5 mt -121.02 -38.42 2.83 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.483 1.513 . . . . 0.0 112.486 -169.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 p -135.13 -174.35 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.086 1.355 . . . . 0.0 113.988 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.88 9.23 17.38 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.099 1.36 . . . . 0.0 113.639 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -65.24 139.38 58.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.253 -0.904 . . . . 0.0 112.291 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.85 35.46 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.113 0.565 . . . . 0.0 112.198 168.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.1 t -145.44 161.29 40.06 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.129 1.372 . . . . 0.0 112.29 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.86 -9.69 58.56 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 126.046 1.738 . . . . 0.0 114.31 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.6 m -131.73 130.29 41.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.344 1.057 . . . . 0.0 112.396 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.54 -28.63 70.0 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -176.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -63.27 -35.42 80.3 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.512 1.525 . . . . 0.0 113.093 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -70.44 -45.82 65.08 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.639 0.776 . . . . 0.0 110.681 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.97 -43.52 95.48 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 121.84 -0.537 . . . . 0.0 111.107 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -38.16 62.03 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.955 0.902 . . . . 0.0 111.989 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -38.81 65.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.546 0.738 . . . . 0.0 111.936 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -66.15 -38.09 87.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.347 1.059 . . . . 0.0 112.472 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -27.72 68.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.779 1.231 . . . . 0.0 112.053 176.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.85 -27.2 62.73 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.595 -0.69 . . . . 0.0 112.786 172.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -67.57 -31.14 71.01 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 119.615 1.098 . . . . 0.0 112.283 172.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -74.03 -8.69 57.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 172.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -82.54 10.65 6.89 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 -172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.5 p -70.36 156.44 39.31 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.978 1.311 . . . . 0.0 112.79 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -145.46 163.56 34.3 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.112 1.365 . . . . 0.0 112.587 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.096 1.759 . . . . 0.0 112.1 -179.552 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -84.58 -14.24 49.38 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 m -66.96 153.3 43.94 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.025 1.33 . . . . 0.0 113.266 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 173.98 44.42 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.542 1.068 . . . . 0.0 113.544 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -68.79 151.84 46.1 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.716 1.206 . . . . 0.0 113.327 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -147.17 165.55 29.66 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.447 1.499 . . . . 0.0 112.551 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.91 170.45 43.41 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.026 1.298 . . . . 0.0 113.085 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 149.21 42.32 Favored Pre-proline 0 N--CA 1.479 0.975 0 C-N-CA 125.217 1.407 . . . . 0.0 112.294 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.06 -40.67 4.59 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 124.851 3.701 . . . . 0.0 114.561 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -108.43 91.13 3.52 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.958 0.885 . . . . 0.0 110.652 -173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -90.93 120.65 32.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.364 2.266 . . . . 0.0 109.339 177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.2 136.54 19.41 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.696 1.998 . . . . 0.0 112.224 175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.4 p -79.04 -4.18 48.86 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.4 mt -117.93 -38.49 3.23 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.491 1.516 . . . . 0.0 112.226 -170.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.3 p -134.19 -174.55 3.58 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.218 1.407 . . . . 0.0 113.728 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.67 7.58 22.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.931 1.292 . . . . 0.0 113.871 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.09 138.45 58.56 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.742 0.817 . . . . 0.0 112.456 173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.7 143.75 24.73 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -139.06 160.57 39.46 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.361 1.464 . . . . 0.0 112.597 -172.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -79.64 -13.75 59.28 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.293 1.837 . . . . 0.0 114.131 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.0 t -118.38 128.13 54.34 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.303 1.041 . . . . 0.0 112.507 -178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -64.63 -36.58 84.71 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.965 0.906 . . . . 0.0 111.783 177.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.4 m -68.65 -30.95 69.76 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.552 1.141 . . . . 0.0 112.574 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -72.76 -42.41 64.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.189 0.596 . . . . 0.0 111.801 174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.17 -44.49 95.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.988 0.813 . . . . 0.0 111.199 170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -54.87 -37.21 65.97 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.822 0.849 . . . . 0.0 111.898 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.28 -39.82 71.28 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.108 0.563 . . . . 0.0 111.811 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -64.89 -36.46 84.43 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.443 1.097 . . . . 0.0 112.585 173.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -31.93 73.29 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.743 -1.223 . . . . 0.0 111.209 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -73.68 -22.23 60.0 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 171.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -69.25 -39.79 78.24 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.891 1.223 . . . . 0.0 111.049 169.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -60.53 -31.32 70.41 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 172.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 m -69.42 -6.31 29.35 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.9 p -74.24 -16.19 60.96 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.831 1.196 . . . . 0.0 113.934 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.77 107.76 5.44 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.872 1.269 . . . . 0.0 110.462 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.413 1.885 . . . . 0.0 111.659 -175.143 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.094 -0.402 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m 61.14 170.81 0.1 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.551 1.94 . . . . 0.0 115.121 -176.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -145.97 153.88 41.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.269 1.428 . . . . 0.0 112.385 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.27 177.78 37.87 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.632 1.11 . . . . 0.0 114.487 -176.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.1 m -141.14 149.94 42.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.493 1.517 . . . . 0.0 111.934 -176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 p -78.02 -27.41 48.88 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.629 1.172 . . . . 0.0 113.743 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.33 -50.62 2.05 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.235 1.874 . . . . 0.0 114.739 177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -101.91 150.86 37.78 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.383 1.873 . . . . 0.0 111.111 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -67.83 -36.97 16.85 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.24 3.293 . . . . 0.0 114.431 -173.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -112.87 90.51 3.36 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.006 0.922 . . . . 0.0 110.168 -176.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -95.15 121.29 36.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.291 2.236 . . . . 0.0 108.86 176.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.4 t -49.09 132.98 19.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.948 2.099 . . . . 0.0 112.427 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.6 p -75.42 -2.53 29.09 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.7 mt -120.39 -38.62 2.87 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.626 1.571 . . . . 0.0 112.535 -169.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -134.59 -174.17 3.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.997 1.319 . . . . 0.0 113.878 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -85.39 7.24 23.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.114 1.366 . . . . 0.0 113.565 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -64.45 139.13 58.73 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.211 -0.93 . . . . 0.0 112.356 172.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.06 151.86 33.9 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 169.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.7 t -145.55 163.34 35.07 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.838 1.255 . . . . 0.0 112.504 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -84.17 -7.83 59.25 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.396 1.878 . . . . 0.0 114.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -130.13 131.83 45.84 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -60.77 -38.74 86.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.677 1.191 . . . . 0.0 112.173 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 81.7 p -69.24 -24.65 64.03 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.858 0.863 . . . . 0.0 113.231 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -78.88 -41.51 29.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.256 0.623 . . . . 0.0 111.487 173.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.6 tp -60.71 -45.3 94.77 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.223 -0.923 . . . . 0.0 111.625 170.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -50.05 -42.6 50.07 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.307 1.043 . . . . 0.0 111.86 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.67 -38.58 80.49 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.946 0.898 . . . . 0.0 112.094 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -66.72 -38.02 85.84 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.362 1.065 . . . . 0.0 112.663 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -31.85 73.25 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.607 -1.308 . . . . 0.0 111.417 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -67.84 -24.22 65.25 Favored 'General case' 0 CA--C 1.546 0.81 0 O-C-N 121.38 -0.825 . . . . 0.0 113.152 172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -71.66 -37.35 70.8 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-N 119.505 1.048 . . . . 0.0 111.861 172.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -67.28 -30.41 70.27 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 170.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 t -81.38 10.19 6.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.409 1.483 . . . . 0.0 114.64 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 t -140.66 165.19 28.16 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.022 1.329 . . . . 0.0 112.146 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.19 151.86 49.26 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.729 1.612 . . . . 0.0 111.953 -176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.221 1.808 . . . . 0.0 112.84 178.008 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -73.6 152.83 40.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.397 1.079 . . . . 0.0 113.06 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 m -135.42 149.93 49.74 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.463 1.505 . . . . 0.0 111.726 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.61 157.0 52.41 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.082 0.849 . . . . 0.0 113.605 175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -72.18 -24.49 61.43 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -140.12 138.35 35.2 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.368 1.467 . . . . 0.0 111.755 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.81 164.83 53.32 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.686 1.136 . . . . 0.0 113.828 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -124.95 136.34 27.94 Favored Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 124.688 1.195 . . . . 0.0 111.716 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.23 -38.94 2.38 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.737 3.625 . . . . 0.0 113.847 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -111.87 90.95 3.48 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.385 1.074 . . . . 0.0 110.364 -172.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -96.91 122.19 39.62 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 127.341 2.256 . . . . 0.0 109.005 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.2 t -50.23 140.61 12.79 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.411 1.884 . . . . 0.0 112.715 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.3 m -76.72 -8.64 57.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.179 0.992 . . . . 0.0 113.268 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.2 mt -122.89 -40.38 2.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.964 1.305 . . . . 0.0 113.195 -168.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 p -126.39 -177.65 4.06 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.654 1.181 . . . . 0.0 113.155 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -87.36 12.59 11.67 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.23 138.55 58.31 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 121.54 -0.725 . . . . 0.0 112.33 169.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 154.24 37.76 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 168.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -147.55 161.46 41.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 112.405 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -84.73 -9.36 58.28 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.325 1.85 . . . . 0.0 114.393 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -131.9 131.02 42.34 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.557 1.143 . . . . 0.0 112.25 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -62.41 -28.96 70.15 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -63.93 -34.78 78.74 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.566 1.546 . . . . 0.0 113.17 174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -70.04 -45.7 66.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.482 0.713 . . . . 0.0 110.568 174.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -63.57 -45.8 88.79 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.775 -0.578 . . . . 0.0 111.067 178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -52.94 -35.47 58.63 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.781 1.233 . . . . 0.0 112.34 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.07 -37.51 61.58 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.554 0.742 . . . . 0.0 112.121 175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -65.03 -41.92 94.83 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.482 1.113 . . . . 0.0 112.475 173.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 91.6 mmm -64.59 -26.96 68.63 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.803 -1.186 . . . . 0.0 112.676 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -68.73 -19.02 64.33 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 113.245 172.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -75.3 -33.11 61.16 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.379 0.991 . . . . 0.0 112.125 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -76.06 -21.98 56.16 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.923 0.889 . . . . 0.0 112.896 172.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.6 m -78.1 29.46 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.849 1.66 . . . . 0.0 114.647 -173.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.2 p -80.72 -18.57 47.4 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.982 1.313 . . . . 0.0 113.513 175.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.08 159.72 19.48 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.991 1.316 . . . . 0.0 113.436 176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 126.246 1.818 . . . . 0.0 111.789 -178.76 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -64.43 -17.21 63.58 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -76.12 -9.82 58.93 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.455 1.502 . . . . 0.0 114.304 173.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.89 -156.66 51.94 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.625 1.107 . . . . 0.0 114.234 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -145.09 166.21 26.02 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.628 1.571 . . . . 0.0 112.43 -178.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.1 p -142.37 164.35 30.37 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.357 1.463 . . . . 0.0 112.721 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.1 179.85 46.12 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.093 1.33 . . . . 0.0 112.661 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -118.45 139.32 26.75 Favored Pre-proline 0 N--CA 1.476 0.862 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.94 -43.15 0.21 Allowed 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 125.189 3.926 . . . . 0.0 114.495 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -111.06 90.69 3.4 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.147 0.979 . . . . 0.0 110.707 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -93.84 122.6 36.49 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.294 2.238 . . . . 0.0 108.702 175.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.3 t -49.37 134.01 19.22 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.884 2.074 . . . . 0.0 112.683 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 m -72.51 -4.58 31.37 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.954 0.901 . . . . 0.0 113.341 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.7 mt -122.43 -38.47 2.67 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.367 1.467 . . . . 0.0 112.834 -168.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.3 p -134.51 -174.21 3.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.001 1.32 . . . . 0.0 114.117 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -86.18 9.58 17.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.023 1.329 . . . . 0.0 113.731 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -64.92 140.39 58.86 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.25 -0.906 . . . . 0.0 112.282 170.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.25 152.86 35.21 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.323 0.582 . . . . 0.0 112.294 168.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 t -142.56 160.1 40.94 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.492 1.517 . . . . 0.0 112.175 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -79.21 -11.09 59.96 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.01 1.724 . . . . 0.0 113.876 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -129.65 124.1 32.85 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.103 0.961 . . . . 0.0 112.673 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -62.02 -28.8 69.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -176.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 p -65.79 -33.44 75.86 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.214 1.406 . . . . 0.0 113.098 173.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -74.23 -39.32 63.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.428 0.691 . . . . 0.0 111.425 172.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -65.05 -46.69 80.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 174.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.38 -43.75 34.05 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.323 1.049 . . . . 0.0 111.888 173.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.96 74.99 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.981 0.912 . . . . 0.0 112.502 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -66.94 -38.76 86.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.544 1.138 . . . . 0.0 112.335 173.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 -33.84 75.76 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.903 -1.123 . . . . 0.0 111.292 178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -68.19 -17.11 64.24 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -75.52 -27.43 58.73 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.489 1.041 . . . . 0.0 112.35 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -75.77 -24.35 56.01 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.435 0.694 . . . . 0.0 112.5 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 m -71.18 0.33 8.06 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.2 p -72.85 -12.47 60.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.825 1.25 . . . . 0.0 113.892 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -131.77 140.85 49.34 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.795 1.638 . . . . 0.0 111.087 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.057 1.743 . . . . 0.0 112.033 -176.276 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 m -66.61 -21.63 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.141 0.977 . . . . 0.0 113.195 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -135.44 173.21 11.97 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.884 2.074 . . . . 0.0 110.365 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.14 -177.88 43.07 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.309 1.433 . . . . 0.0 114.429 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -87.45 25.91 1.34 Allowed 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.206 1.802 . . . . 0.0 115.09 -169.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -57.31 140.2 50.74 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.999 1.32 . . . . 0.0 113.477 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.18 158.27 53.26 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.994 1.283 . . . . 0.0 114.465 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -111.01 149.94 41.19 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 125.731 1.612 . . . . 0.0 111.483 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -69.76 -37.97 8.45 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.996 3.13 . . . . 0.0 114.708 -175.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -114.52 90.72 3.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 122.024 0.916 . . . . 0.0 110.439 -175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.35 122.46 36.93 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.331 2.252 . . . . 0.0 108.938 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -49.72 134.68 20.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.065 2.146 . . . . 0.0 113.051 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 m -73.82 -4.69 36.36 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.183 0.993 . . . . 0.0 113.331 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -122.83 -38.28 2.64 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.256 1.422 . . . . 0.0 112.966 -168.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 p -133.71 -174.65 3.58 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.048 1.339 . . . . 0.0 113.956 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -85.6 8.01 21.04 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.12 1.368 . . . . 0.0 113.579 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 139.24 58.74 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.216 -0.927 . . . . 0.0 112.436 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.83 150.87 32.62 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 169.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -146.01 165.83 27.86 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.905 1.282 . . . . 0.0 112.244 -174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -88.4 -9.43 52.65 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.211 1.804 . . . . 0.0 115.483 -176.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.2 t -132.12 138.21 48.0 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.641 1.177 . . . . 0.0 112.512 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -61.17 -31.53 71.27 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.754 0.821 . . . . 0.0 112.538 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -68.1 -31.06 70.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.386 1.075 . . . . 0.0 112.694 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -71.83 -48.18 47.98 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.481 0.712 . . . . 0.0 110.419 174.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -62.76 -42.12 99.54 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.683 -0.636 . . . . 0.0 111.594 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.99 -38.61 62.4 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.086 0.955 . . . . 0.0 111.946 175.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.33 67.65 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.29 0.636 . . . . 0.0 111.811 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -65.43 -37.04 85.72 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.333 1.053 . . . . 0.0 112.448 174.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.03 -31.13 71.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.685 1.194 . . . . 0.0 111.445 174.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -70.27 -26.5 63.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 121.272 -0.892 . . . . 0.0 112.944 171.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtp-105 -67.61 -42.37 82.51 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 119.586 1.084 . . . . 0.0 111.619 170.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -62.79 -31.56 72.56 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 171.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.6 m -82.14 5.02 21.01 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 -178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -47.13 137.98 7.31 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.832 1.653 . . . . 0.0 113.569 176.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -80.79 156.89 25.96 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -175.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.4 tttt . . . . . 0 C--O 1.254 1.302 0 C-N-CA 125.947 1.699 . . . . 0.0 111.879 -173.075 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -68.97 148.75 49.69 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.432 1.093 . . . . 0.0 113.094 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.5 p -88.47 -7.66 56.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.292 1.437 . . . . 0.0 114.772 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.4 172.83 44.4 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.951 1.262 . . . . 0.0 115.007 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -144.5 172.2 13.29 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.768 1.627 . . . . 0.0 111.474 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m -75.55 31.5 0.11 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.661 1.985 . . . . 0.0 115.035 -171.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.17 3.3 69.23 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 125.494 1.521 . . . . 0.0 115.958 177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -138.63 150.17 65.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.838 1.655 . . . . 0.0 112.002 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.66 -39.14 5.04 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.849 3.699 . . . . 0.0 114.151 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -110.39 90.4 3.31 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.84 0.856 . . . . 0.0 111.127 -172.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -89.67 126.15 35.53 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.769 2.428 . . . . 0.0 110.288 173.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.2 t -52.97 146.85 10.23 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.219 2.208 . . . . 0.0 113.013 171.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -83.8 -8.33 59.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.881 1.273 . . . . 0.0 113.353 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 mt -121.14 -39.22 2.71 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.067 1.347 . . . . 0.0 112.834 -169.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -130.45 -179.37 5.23 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.269 1.427 . . . . 0.0 113.076 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -83.74 9.69 11.21 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.542 1.137 . . . . 0.0 113.545 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -62.89 135.78 57.5 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.14 -0.975 . . . . 0.0 112.319 172.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.51 150.34 33.23 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 169.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -143.73 161.29 38.97 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.861 1.264 . . . . 0.0 112.384 -174.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -87.15 -3.07 59.04 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.51 1.924 . . . . 0.0 114.495 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -131.17 129.79 42.19 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.932 0.893 . . . . 0.0 112.941 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.51 -35.63 80.0 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 112.36 -176.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.5 p -69.09 -25.28 64.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.905 0.882 . . . . 0.0 113.214 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -77.7 -41.87 36.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.374 0.67 . . . . 0.0 111.199 173.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.2 tp -59.78 -48.15 82.82 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.468 -0.77 . . . . 0.0 111.491 170.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -48.46 -41.91 30.99 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.531 1.132 . . . . 0.0 112.144 175.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.2 -45.15 74.16 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.841 0.856 . . . . 0.0 111.573 176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -59.09 -37.43 77.12 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.322 1.049 . . . . 0.0 113.205 173.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 90.5 mmm -67.69 -23.94 65.35 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 120.757 -1.215 . . . . 0.0 112.739 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -77.52 -32.68 54.22 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.645 0.778 . . . . 0.0 112.099 169.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -64.86 -21.93 66.89 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.1 0.96 . . . . 0.0 113.17 172.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -75.03 -20.38 59.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 169.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -97.95 -31.43 12.18 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.218 1.407 . . . . 0.0 113.449 -174.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 p -68.7 149.85 48.6 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.111 0.964 . . . . 0.0 113.551 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -78.86 134.9 36.9 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.11 0.964 . . . . 0.0 111.029 173.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt . . . . . 0 C--O 1.254 1.318 0 C-N-CA 125.888 1.675 . . . . 0.0 111.968 -169.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -77.23 -31.72 55.32 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 60.64 -32.29 0.07 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 129.091 2.956 . . . . 0.0 117.131 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.17 -15.7 73.82 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 125.162 1.363 . . . . 0.0 115.174 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -70.4 136.53 49.67 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.587 1.194 . . . . 0.0 112.489 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -76.04 -31.71 58.97 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.791 0.836 . . . . 0.0 112.532 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.08 -179.58 47.91 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.362 1.458 . . . . 0.0 112.97 177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -126.31 152.42 73.79 Favored Pre-proline 0 N--CA 1.478 0.955 0 C-N-CA 125.974 1.71 . . . . 0.0 111.436 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.53 -38.36 4.58 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 124.106 3.204 . . . . 0.0 114.12 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -113.88 90.6 3.38 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 122.099 0.952 . . . . 0.0 110.914 -174.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -88.84 124.91 34.64 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.517 2.327 . . . . 0.0 109.85 171.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -51.72 134.94 30.01 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.24 1.816 . . . . 0.0 110.906 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 p -79.87 -2.87 45.47 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.045 0.938 . . . . 0.0 113.224 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.0 mt -118.37 -38.49 3.16 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.56 1.544 . . . . 0.0 112.244 -169.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.16 -175.96 4.03 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.252 1.421 . . . . 0.0 113.194 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -84.27 5.91 24.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.589 1.155 . . . . 0.0 113.651 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -62.75 136.67 57.98 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.156 -0.965 . . . . 0.0 112.619 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.71 147.85 27.84 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.8 t -142.01 163.68 32.22 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.458 1.503 . . . . 0.0 112.561 -172.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.3 mmm-85 -83.56 -10.51 58.23 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.424 1.889 . . . . 0.0 114.21 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.2 t -120.09 127.15 52.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.401 1.08 . . . . 0.0 112.848 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -62.58 -33.88 75.86 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.445 0.698 . . . . 0.0 112.635 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 m -75.05 -23.83 58.17 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -76.55 -41.54 46.2 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.886 0.766 . . . . 0.0 111.373 171.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.24 -46.57 89.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.132 -0.98 . . . . 0.0 112.017 170.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -49.02 -42.62 38.74 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.761 1.224 . . . . 0.0 112.113 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.47 -38.06 77.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.997 0.919 . . . . 0.0 112.165 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -67.0 -38.69 86.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.596 1.159 . . . . 0.0 112.529 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.5 -31.59 72.87 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 120.727 -1.233 . . . . 0.0 111.637 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.91 -22.27 65.08 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 172.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -73.43 -30.81 63.47 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.463 1.028 . . . . 0.0 112.361 172.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -75.8 -21.92 56.88 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 170.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -82.51 -7.64 59.63 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -171.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 54.1 p -76.55 154.66 34.33 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.126 0.97 . . . . 0.0 112.597 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -148.03 151.76 36.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.975 1.31 . . . . 0.0 111.274 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.89 1.676 . . . . 0.0 111.965 -179.044 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.478 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m -68.45 143.88 54.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.257 1.023 . . . . 0.0 112.803 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.9 p -83.02 153.02 25.16 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.695 1.198 . . . . 0.0 112.954 177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.82 -172.47 36.33 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.454 1.025 . . . . 0.0 114.659 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 m 53.04 35.16 18.8 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.756 1.622 . . . . 0.0 114.834 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 m -61.16 137.77 58.23 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.012 1.325 . . . . 0.0 112.793 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.66 -20.95 78.87 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.017 0.818 . . . . 0.0 114.974 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -135.4 150.67 73.06 Favored Pre-proline 0 N--CA 1.475 0.812 0 C-N-CA 126.283 1.833 . . . . 0.0 111.446 -170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -67.94 -38.97 11.93 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.291 3.327 . . . . 0.0 114.966 -169.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -108.13 90.22 3.23 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.903 0.858 . . . . 0.0 110.477 -175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -86.62 123.09 31.42 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 127.386 2.274 . . . . 0.0 109.925 173.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.06 134.78 38.18 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.488 1.515 . . . . 0.0 110.643 169.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 p -79.54 -3.96 49.24 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.099 0.96 . . . . 0.0 113.16 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 mt -116.52 -38.44 3.51 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.579 1.552 . . . . 0.0 111.978 -169.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.8 p -134.35 -174.31 3.53 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.127 1.371 . . . . 0.0 113.419 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.63 7.99 24.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.601 1.16 . . . . 0.0 114.093 -178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -63.53 137.04 57.97 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.525 0.73 . . . . 0.0 112.441 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.54 150.26 34.18 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 t -143.55 164.39 30.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.81 1.244 . . . . 0.0 112.417 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.1 mmm-85 -85.38 -9.92 56.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.453 1.901 . . . . 0.0 114.319 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -129.04 125.42 37.24 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.313 1.045 . . . . 0.0 112.164 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.57 -31.93 72.0 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.4 p -67.19 -27.19 67.06 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.674 1.59 . . . . 0.0 113.358 173.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -81.4 -40.32 23.61 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.922 0.889 . . . . 0.0 111.098 174.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.51 -45.86 92.25 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.293 -0.879 . . . . 0.0 111.528 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -48.56 -44.22 36.4 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.198 0.999 . . . . 0.0 111.847 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.05 -32.14 70.11 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.26 1.024 . . . . 0.0 112.971 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -72.32 -39.72 68.0 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.434 1.094 . . . . 0.0 112.36 171.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -31.68 72.85 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.49 1.116 . . . . 0.0 111.638 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -62.64 -27.29 69.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.047 0.939 . . . . 0.0 113.142 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -72.95 -26.22 61.3 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.477 1.111 . . . . 0.0 112.696 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -76.05 -10.56 59.51 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.076 0.95 . . . . 0.0 113.264 172.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.9 t -86.95 6.3 32.81 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.034 1.334 . . . . 0.0 114.209 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -72.29 157.85 36.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.826 1.251 . . . . 0.0 112.948 178.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.42 51.15 1.92 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.961 1.305 . . . . 0.0 112.108 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.425 1.89 . . . . 0.0 112.265 -174.698 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -66.78 150.86 48.51 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.556 1.142 . . . . 0.0 112.988 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -75.96 -18.58 59.26 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.31 -175.68 47.54 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.381 1.467 . . . . 0.0 113.247 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -73.16 153.5 40.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.253 1.021 . . . . 0.0 112.226 174.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -70.62 -24.93 62.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.173 0.989 . . . . 0.0 112.993 170.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.3 -139.16 46.9 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 124.987 1.28 . . . . 0.0 114.421 172.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -130.04 146.08 59.94 Favored Pre-proline 0 N--CA 1.474 0.761 0 C-N-CA 125.469 1.508 . . . . 0.0 112.247 178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -70.53 -38.74 5.75 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 C-N-CA 124.905 3.736 . . . . 0.0 114.052 -173.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -112.96 90.46 3.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.018 0.927 . . . . 0.0 110.477 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -86.76 126.77 34.82 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.574 1.949 . . . . 0.0 109.414 170.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.8 t -52.24 138.11 26.96 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.008 1.723 . . . . 0.0 111.995 171.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 m -76.9 -4.82 45.8 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.099 0.96 . . . . 0.0 113.028 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.1 mt -121.76 -37.82 2.82 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.381 1.472 . . . . 0.0 112.448 -169.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -136.51 -173.34 3.39 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.06 -7.04 55.01 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.148 1.779 . . . . 0.0 113.728 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -59.79 135.7 57.77 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.389 0.676 . . . . 0.0 112.574 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.83 150.95 35.14 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 170.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 t -144.18 162.3 36.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.978 1.311 . . . . 0.0 112.097 -174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -88.73 -7.24 56.63 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.08 1.752 . . . . 0.0 114.326 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -131.88 130.47 41.69 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.619 1.168 . . . . 0.0 111.902 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.83 -28.92 69.83 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.2 p -63.61 -35.12 79.48 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.584 1.553 . . . . 0.0 113.266 174.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.34 -46.55 66.77 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.559 0.744 . . . . 0.0 110.643 174.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -64.32 -43.94 93.12 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.809 -0.557 . . . . 0.0 111.441 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -52.78 -37.68 59.99 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.734 0.814 . . . . 0.0 112.079 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -42.09 63.19 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.203 0.601 . . . . 0.0 111.516 176.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.33 -35.69 81.21 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.155 0.982 . . . . 0.0 112.412 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.37 -22.56 65.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.831 1.252 . . . . 0.0 112.183 174.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -83.49 -33.93 25.45 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.944 0.898 . . . . 0.0 112.261 169.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.51 -25.53 66.17 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 119.49 1.041 . . . . 0.0 113.169 172.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -65.26 -17.65 64.67 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 173.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.7 t -81.75 125.53 30.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.202 0.91 . . . . 0.0 110.869 172.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.0 p -140.82 162.27 35.84 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.238 1.415 . . . . 0.0 112.555 -172.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -128.66 151.78 49.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.599 1.56 . . . . 0.0 111.328 175.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.6 pttt . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.773 1.629 . . . . 0.0 112.879 -179.217 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -138.36 148.15 44.24 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.006 1.322 . . . . 0.0 112.216 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 m -74.62 -5.5 43.34 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.173 1.546 . . . . 0.0 115.173 -173.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.4 -12.69 77.05 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.655 1.121 . . . . 0.0 115.471 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -74.12 136.39 42.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.908 1.354 . . . . 0.0 112.166 176.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -83.75 10.98 8.14 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.069 1.348 . . . . 0.0 113.187 170.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.6 -179.93 36.36 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.945 1.259 . . . . 0.0 112.975 -169.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.65 133.99 17.05 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.177 0.991 . . . . 0.0 111.481 172.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HD2' ' A' ' 20' ' ' ARG . 92.8 Cg_endo -75.51 -39.61 1.01 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.555 3.503 . . . . 0.0 113.801 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -111.21 90.47 3.34 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.198 0.999 . . . . 0.0 110.165 -173.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -94.42 122.12 36.66 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.436 2.295 . . . . 0.0 108.645 175.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.0 t -49.23 131.86 19.79 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.878 2.071 . . . . 0.0 112.38 176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.3 m -71.6 -3.87 23.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 123.849 0.859 . . . . 0.0 113.255 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.2 mt -122.62 -38.82 2.6 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.495 1.518 . . . . 0.0 112.838 -168.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.48 3.54 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.846 1.258 . . . . 0.0 114.061 -178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -84.69 6.74 23.01 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.169 1.388 . . . . 0.0 113.624 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -64.78 139.32 58.75 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 121.239 -0.913 . . . . 0.0 112.472 172.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.1 153.69 36.83 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 169.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 160.14 42.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.123 1.369 . . . . 0.0 112.232 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HD2' ' HD2' ' A' ' 9' ' ' PRO . 16.5 mmm180 -80.91 -9.29 59.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.002 1.721 . . . . 0.0 114.017 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.8 m -127.91 124.82 38.33 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.318 1.047 . . . . 0.0 112.785 -175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -59.66 -40.88 89.19 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.251 1.021 . . . . 0.0 112.455 -176.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -64.95 -23.28 67.18 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.43 1.092 . . . . 0.0 113.546 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -81.99 -40.29 22.37 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.523 0.729 . . . . 0.0 111.339 174.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.23 -45.82 92.95 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.288 -0.882 . . . . 0.0 111.518 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -48.17 -44.04 32.12 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.809 1.244 . . . . 0.0 111.96 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -34.45 72.01 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.307 1.043 . . . . 0.0 112.71 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -70.35 -39.16 74.84 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.459 1.104 . . . . 0.0 112.42 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -35.39 78.08 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.961 -1.087 . . . . 0.0 111.217 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -63.23 -23.62 67.51 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -72.87 -24.93 60.93 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.203 1.001 . . . . 0.0 112.529 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -80.51 -28.84 37.33 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.349 0.66 . . . . 0.0 111.695 169.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -70.66 -34.26 71.83 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.406 1.082 . . . . 0.0 113.31 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.4 p -80.28 155.59 27.21 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.117 0.967 . . . . 0.0 112.646 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -136.1 156.91 48.01 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.306 1.442 . . . . 0.0 111.857 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.0 mttp . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.263 1.825 . . . . 0.0 111.627 178.543 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -62.65 -22.07 66.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -172.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -82.25 2.56 31.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.278 1.431 . . . . 0.0 114.271 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.31 162.38 36.69 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.772 1.177 . . . . 0.0 114.895 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.4 p -84.7 0.62 49.81 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -172.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 t -63.17 144.29 57.05 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.255 1.022 . . . . 0.0 112.839 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.03 151.81 21.33 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.098 1.332 . . . . 0.0 112.393 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -119.53 139.57 28.03 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 124.933 1.293 . . . . 0.0 111.852 -172.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -71.62 -39.47 3.53 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 124.994 3.796 . . . . 0.0 114.099 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -108.92 90.76 3.39 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.06 0.944 . . . . 0.0 110.684 -172.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -86.44 124.28 32.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 127.277 2.231 . . . . 0.0 109.966 172.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -52.9 135.62 35.95 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.754 1.622 . . . . 0.0 111.507 170.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.5 m -78.01 -5.19 50.51 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.55 1.14 . . . . 0.0 113.172 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 mt -119.62 -38.2 3.03 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.404 1.482 . . . . 0.0 112.332 -169.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -133.84 -174.47 3.54 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.189 1.395 . . . . 0.0 113.523 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.94 8.2 24.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.748 1.219 . . . . 0.0 114.019 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.54 138.02 58.35 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.524 0.73 . . . . 0.0 112.464 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.49 153.56 38.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 169.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 t -146.51 160.6 41.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 112.523 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -83.94 -10.49 57.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.286 1.834 . . . . 0.0 114.538 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -132.48 130.54 40.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.431 1.092 . . . . 0.0 112.071 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.15 -31.04 70.77 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -175.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m -66.44 -26.91 67.44 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.507 1.123 . . . . 0.0 113.439 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -73.27 -46.24 51.04 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.576 0.626 . . . . 0.0 110.299 173.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.9 tp -64.22 -44.66 91.2 Favored 'General case' 0 C--N 1.343 0.283 0 O-C-N 121.712 -0.618 . . . . 0.0 111.41 177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -47.58 -44.0 25.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.422 1.089 . . . . 0.0 112.101 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -40.5 73.35 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.92 0.888 . . . . 0.0 112.2 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -64.47 -36.9 85.68 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.427 1.091 . . . . 0.0 112.582 174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.71 -30.0 70.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.7 -1.25 . . . . 0.0 111.606 174.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -72.13 -29.37 64.0 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.311 -0.868 . . . . 0.0 112.561 171.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 -64.88 -41.42 95.65 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.445 1.02 . . . . 0.0 111.296 169.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -63.26 -38.1 89.84 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 171.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.3 t -60.53 -30.41 69.73 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.46 1.104 . . . . 0.0 113.51 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . 0.263 14.8 t -81.71 39.7 0.56 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.458 1.103 . . . . 0.0 112.963 170.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 55.86 56.62 5.87 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.872 2.469 . . . . 0.0 114.399 174.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 C--O 1.253 1.24 0 C-N-CA 125.636 1.574 . . . . 0.0 112.55 177.195 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_